(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one

C10H16O — CID 130738680

IUPAC(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one
SMILESCC(C)=C1CC[C@@H](C)C(=O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyKCMPNSMMFORCER-MRVPVSSYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds

About (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one

(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one (PubChem CID 130738680) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one
PubChem CID130738680
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one
SMILESCC(C)=C1CC[C@@H](C)C(=O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyKCMPNSMMFORCER-MRVPVSSYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methylcyclohexane-1,3-dione
CID 153395482
4-propan-2-ylidenecyclohexan-1-ol
CID 572084
3-propan-2-ylidenecyclohexan-1-one
CID 130029806
5-hydroxy-2-methylcycloheptan-1-one
CID 20517423
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one
CID 15800986
2-methyl-5-propan-2-ylidenecyclohexane-1-carboxylic acid
CID 69136768
2-methyl-6-[(5-methyl-2,6-dioxocyclooctyl)methyl]cyclooctane-1,5-dione
CID 59271051
butan-2-one;ethyl prop-2-enoate;4-methylcyclohexane-1,3-dione
CID 161059696
(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
CID 155023347
2-(4-methylcyclohexylidene)propanal
CID 23103336
2-(3-oxobutyl)cyclopentane-1,3-dione
CID 56723776
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one?
The IUPAC name of (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one (CID 130738680) is (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one.
What is the SMILES notation for (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one?
The canonical SMILES for (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one is CC(C)=C1CC[C@@H](C)C(=O)C1.
What is the InChIKey of (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one?
The InChIKey is KCMPNSMMFORCER-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one?
(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one is sourced from PubChem (CID 130738680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).