(4R)-4-(1-methylcyclohexyl)oxolan-2-one

C11H18O2 — CID 134850826

IUPAC(4R)-4-(1-methylcyclohexyl)oxolan-2-one
SMILESCC1([C@@H]2COC(=O)C2)CCCCC1
InChIInChI=1S/C11H18O2/c1-11(5-3-2-4-6-11)9-7-10(12)13-8-9/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyHXPLAZQKJNZLRW-VIFPVBQESA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds1

About (4R)-4-(1-methylcyclohexyl)oxolan-2-one

(4R)-4-(1-methylcyclohexyl)oxolan-2-one (PubChem CID 134850826) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R)-4-(1-methylcyclohexyl)oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(1-methylcyclohexyl)oxolan-2-one
PubChem CID134850826
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R)-4-(1-methylcyclohexyl)oxolan-2-one
SMILESCC1([C@@H]2COC(=O)C2)CCCCC1
InChIInChI=1S/C11H18O2/c1-11(5-3-2-4-6-11)9-7-10(12)13-8-9/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyHXPLAZQKJNZLRW-VIFPVBQESA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
Methylhexahydrophthalic anhydride
CID 3016472
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
1(3H)-Isobenzofuranone, 3-butylhexahydro-
CID 12367055
Ethyl 2-cyclohexylpropionate
CID 160641
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-methylcyclohexyl)oxolan-2-one?
The IUPAC name of (4R)-4-(1-methylcyclohexyl)oxolan-2-one (CID 134850826) is (4R)-4-(1-methylcyclohexyl)oxolan-2-one.
What is the SMILES notation for (4R)-4-(1-methylcyclohexyl)oxolan-2-one?
The canonical SMILES for (4R)-4-(1-methylcyclohexyl)oxolan-2-one is CC1([C@@H]2COC(=O)C2)CCCCC1.
What is the InChIKey of (4R)-4-(1-methylcyclohexyl)oxolan-2-one?
The InChIKey is HXPLAZQKJNZLRW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-11(5-3-2-4-6-11)9-7-10(12)13-8-9/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (4R)-4-(1-methylcyclohexyl)oxolan-2-one?
(4R)-4-(1-methylcyclohexyl)oxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-methylcyclohexyl)oxolan-2-one is sourced from PubChem (CID 134850826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).