8,9-di(propan-2-yl)spiro[4.5]decane

C16H30 — CID 140631430

IUPAC8,9-di(propan-2-yl)spiro[4.5]decane
SMILESCC(C)C1CCC2(CCCC2)CC1C(C)C
InChIInChI=1S/C16H30/c1-12(2)14-7-10-16(8-5-6-9-16)11-15(14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXVVOBTJRJRHCST-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds2

About 8,9-di(propan-2-yl)spiro[4.5]decane

8,9-di(propan-2-yl)spiro[4.5]decane (PubChem CID 140631430) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 8,9-di(propan-2-yl)spiro[4.5]decane.

Molecular Properties

Compound Name8,9-di(propan-2-yl)spiro[4.5]decane
PubChem CID140631430
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name8,9-di(propan-2-yl)spiro[4.5]decane
SMILESCC(C)C1CCC2(CCCC2)CC1C(C)C
InChIInChI=1S/C16H30/c1-12(2)14-7-10-16(8-5-6-9-16)11-15(14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXVVOBTJRJRHCST-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(3R)-3-methylspiro[4.5]decane
CID 140778087
ethane;3-methylspiro[4.4]nonane
CID 168995417
8-(1-bromoethyl)spiro[4.5]decane
CID 114821018
3-methoxyspiro[4.4]nonane
CID 129102731
3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382376
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382412
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
CID 164942032
3-(1-chloroethyl)spiro[5.5]undecane
CID 58073632

Frequently Asked Questions

What is the IUPAC name of 8,9-di(propan-2-yl)spiro[4.5]decane?
The IUPAC name of 8,9-di(propan-2-yl)spiro[4.5]decane (CID 140631430) is 8,9-di(propan-2-yl)spiro[4.5]decane.
What is the SMILES notation for 8,9-di(propan-2-yl)spiro[4.5]decane?
The canonical SMILES for 8,9-di(propan-2-yl)spiro[4.5]decane is CC(C)C1CCC2(CCCC2)CC1C(C)C.
What is the InChIKey of 8,9-di(propan-2-yl)spiro[4.5]decane?
The InChIKey is XVVOBTJRJRHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-12(2)14-7-10-16(8-5-6-9-16)11-15(14)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 8,9-di(propan-2-yl)spiro[4.5]decane?
8,9-di(propan-2-yl)spiro[4.5]decane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-di(propan-2-yl)spiro[4.5]decane is sourced from PubChem (CID 140631430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).