(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H26O3 — CID 103450645

IUPAC(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H26O3/c1-12-3-8-16(18,9-4-12)14(17)13-5-10-19-15(11-13)6-2-7-15/h12-13,18H,2-11H2,1H3
InChIKeyDAPAHPVDCABKDW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.85
Rot. Bonds2

About (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 103450645) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID103450645
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC1CCC(O)(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H26O3/c1-12-3-8-16(18,9-4-12)14(17)13-5-10-19-15(11-13)6-2-7-15/h12-13,18H,2-11H2,1H3
InChIKeyDAPAHPVDCABKDW-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.85
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)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 103450645) is (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CC1CCC(O)(C(=O)C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is DAPAHPVDCABKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12-3-8-16(18,9-4-12)14(17)13-5-10-19-15(11-13)6-2-7-15/h12-13,18H,2-11H2,1H3.
What are the key properties of (1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(1-hydroxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 2.85, 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)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 103450645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).