3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane

C77H144 — CID 162159436

IUPAC3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCC(C)(C)C2.CC(C)C1CCC2(CCCC2(C)C)CC1.CC(C)C1CCC2(CCCCC2(C)C)CC1.CC(C)C1CCCC2(CCC(C)(C)C2)C1.CC(C)C1CCCC2(CCCCC2(C)C)C1
InChIInChI=1S/2C16H30.3C15H28/c1-13(2)14-7-11-16(12-8-14)10-6-5-9-15(16,3)4;1-13(2)14-8-7-11-16(12-14)10-6-5-9-15(16,3)4;1-12(2)13-6-10-15(11-7-13)9-5-8-14(15,3)4;1-12(2)13-5-7-15(8-6-13)10-9-14(3,4)11-15;1-12(2)13-6-5-7-15(10-13)9-8-14(3,4)11-15/h2*13-14H,5-12H2,1-4H3;3*12-13H,5-11H2,1-4H3
InChIKeyZMGVVLKGHVHQCN-UHFFFAOYSA-N
MW1070.00 g/mol
LogP25.93
Rot. Bonds5

About 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane

3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane (PubChem CID 162159436) has the molecular formula C77H144 and a molecular weight of 1070.00 g/mol. Its IUPAC name is 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane
PubChem CID162159436
Molecular FormulaC77H144
Molecular Weight1070.00 g/mol
Exact Mass1069.13
IUPAC Name3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCC(C)(C)C2.CC(C)C1CCC2(CCCC2(C)C)CC1.CC(C)C1CCC2(CCCCC2(C)C)CC1.CC(C)C1CCCC2(CCC(C)(C)C2)C1.CC(C)C1CCCC2(CCCCC2(C)C)C1
InChIInChI=1S/2C16H30.3C15H28/c1-13(2)14-7-11-16(12-8-14)10-6-5-9-15(16,3)4;1-13(2)14-8-7-11-16(12-14)10-6-5-9-15(16,3)4;1-12(2)13-6-10-15(11-7-13)9-5-8-14(15,3)4;1-12(2)13-5-7-15(8-6-13)10-9-14(3,4)11-15;1-12(2)13-6-5-7-15(10-13)9-8-14(3,4)11-15/h2*13-14H,5-12H2,1-4H3;3*12-13H,5-11H2,1-4H3
InChIKeyZMGVVLKGHVHQCN-UHFFFAOYSA-N
XLogP25.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.00
LogP ≤ 525.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane with MolForge

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Related Compounds

3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382376
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382412
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
8-methyl-3-propan-2-yl-9-[2-[(7R)-spiro[3.4]octan-7-yl]propyl]-8-azaspiro[4.5]decane
CID 169125634
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
CID 66107206
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 107450626
(8R)-6-methyl-8-propan-2-yl-6-azaspiro[3.5]nonane
CID 129290560
3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
CID 170754482
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
3-(1-chloroethyl)spiro[5.5]undecane
CID 58073632
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane (CID 162159436) is 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane is CC(C)C1CCC2(CC1)CCC(C)(C)C2.CC(C)C1CCC2(CCCC2(C)C)CC1.CC(C)C1CCC2(CCCCC2(C)C)CC1.CC(C)C1CCCC2(CCC(C)(C)C2)C1.CC(C)C1CCCC2(CCCCC2(C)C)C1.
What is the InChIKey of 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane?
The InChIKey is ZMGVVLKGHVHQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30.3C15H28/c1-13(2)14-7-11-16(12-8-14)10-6-5-9-15(16,3)4;1-13(2)14-8-7-11-16(12-14)10-6-5-9-15(16,3)4;1-12(2)13-6-10-15(11-7-13)9-5-8-14(15,3)4;1-12(2)13-5-7-15(8-6-13)10-9-14(3,4)11-15;1-12(2)13-6-5-7-15(10-13)9-8-14(3,4)11-15/h2*13-14H,5-12H2,1-4H3;3*12-13H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane?
3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane has a molecular weight of 1070.00 g/mol, XLogP of 25.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-propan-2-ylspiro[4.5]decane;3,3-dimethyl-9-propan-2-ylspiro[4.5]decane;4,4-dimethyl-8-propan-2-ylspiro[4.5]decane;11,11-dimethyl-3-propan-2-ylspiro[5.5]undecane;11,11-dimethyl-4-propan-2-ylspiro[5.5]undecane is sourced from PubChem (CID 162159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).