(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C17H28O3 — CID 103450763

IUPAC(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H28O3/c1-13-4-9-17(19,10-5-13)15(18)14-6-11-20-16(12-14)7-2-3-8-16/h13-14,19H,2-12H2,1H3
InChIKeyWOFJFGMQUURDIY-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.24
Rot. Bonds2

About (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 103450763) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID103450763
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H28O3/c1-13-4-9-17(19,10-5-13)15(18)14-6-11-20-16(12-14)7-2-3-8-16/h13-14,19H,2-12H2,1H3
InChIKeyWOFJFGMQUURDIY-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 103450763) is (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is CC1CCC(O)(C(=O)C2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is WOFJFGMQUURDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-13-4-9-17(19,10-5-13)15(18)14-6-11-20-16(12-14)7-2-3-8-16/h13-14,19H,2-12H2,1H3.
What are the key properties of (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103450763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).