(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C18H30O3 — CID 103450688

IUPAC(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H30O3/c1-14-5-10-18(20,11-6-14)16(19)15-7-12-21-17(13-15)8-3-2-4-9-17/h14-15,20H,2-13H2,1H3
InChIKeyRGGVUGDLUQUPCR-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.63
Rot. Bonds2

About (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 103450688) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID103450688
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H30O3/c1-14-5-10-18(20,11-6-14)16(19)15-7-12-21-17(13-15)8-3-2-4-9-17/h14-15,20H,2-13H2,1H3
InChIKeyRGGVUGDLUQUPCR-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.63
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)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 103450688) is (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is CC1CCC(O)(C(=O)C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is RGGVUGDLUQUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-14-5-10-18(20,11-6-14)16(19)15-7-12-21-17(13-15)8-3-2-4-9-17/h14-15,20H,2-13H2,1H3.
What are the key properties of (1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(1-hydroxy-4-methylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 3.63, 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)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 103450688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).