2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane

C18H34 — CID 59482332

IUPAC2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
SMILESCC1CC(C)(C)CC2(C1)CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C18H34/c1-14-8-15(2,3)11-18(9-14)12-16(4,5)10-17(6,7)13-18/h14H,8-13H2,1-7H3
InChIKeyMBDCBHUKQVBSKH-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds

About 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane

2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane (PubChem CID 59482332) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane.

Molecular Properties

Compound Name2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
PubChem CID59482332
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
SMILESCC1CC(C)(C)CC2(C1)CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C18H34/c1-14-8-15(2,3)11-18(9-14)12-16(4,5)10-17(6,7)13-18/h14H,8-13H2,1-7H3
InChIKeyMBDCBHUKQVBSKH-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 63156381
1,1,3-trimethylcyclobutane
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1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
2,6-dimethylspiro[3.3]heptane
CID 21304360
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
1,3,3,5,5,7-hexamethylazocane
CID 70331342
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
CID 59970292
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
1-bromo-3,3,5-trimethyl-1-(2-methylpropyl)cyclohexane
CID 143368968

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane?
The IUPAC name of 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane (CID 59482332) is 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane.
What is the SMILES notation for 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane?
The canonical SMILES for 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane is CC1CC(C)(C)CC2(C1)CC(C)(C)CC(C)(C)C2.
What is the InChIKey of 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane?
The InChIKey is MBDCBHUKQVBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-14-8-15(2,3)11-18(9-14)12-16(4,5)10-17(6,7)13-18/h14H,8-13H2,1-7H3.
What are the key properties of 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane?
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane is sourced from PubChem (CID 59482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).