10-(3,3-dimethylcyclohexyl)spiro[4.5]decane

C18H32 — CID 90804483

IUPAC10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
SMILESCC1(C)CCCC(C2CCCCC23CCCC3)C1
InChIInChI=1S/C18H32/c1-17(2)10-7-8-15(14-17)16-9-3-4-11-18(16)12-5-6-13-18/h15-16H,3-14H2,1-2H3
InChIKeyAEEAIQKROVIZIL-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.95
Rot. Bonds1

About 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane

10-(3,3-dimethylcyclohexyl)spiro[4.5]decane (PubChem CID 90804483) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane.

Molecular Properties

Compound Name10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
PubChem CID90804483
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
SMILESCC1(C)CCCC(C2CCCCC23CCCC3)C1
InChIInChI=1S/C18H32/c1-17(2)10-7-8-15(14-17)16-9-3-4-11-18(16)12-5-6-13-18/h15-16H,3-14H2,1-2H3
InChIKeyAEEAIQKROVIZIL-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane?
The IUPAC name of 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane (CID 90804483) is 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane.
What is the SMILES notation for 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane?
The canonical SMILES for 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane is CC1(C)CCCC(C2CCCCC23CCCC3)C1.
What is the InChIKey of 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane?
The InChIKey is AEEAIQKROVIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-17(2)10-7-8-15(14-17)16-9-3-4-11-18(16)12-5-6-13-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane?
10-(3,3-dimethylcyclohexyl)spiro[4.5]decane has a molecular weight of 248.45 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,3-dimethylcyclohexyl)spiro[4.5]decane is sourced from PubChem (CID 90804483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).