7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one

C15H24O2 — CID 85107178

IUPAC7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one
SMILESC=C1CCC(C(C)(C)O)C=CC(C)CCC1=O
InChIInChI=1S/C15H24O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h5,8,11,13,17H,2,6-7,9-10H2,1,3-4H3
InChIKeyRJCCYTWCDOEWGM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds1

About 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one

7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one (PubChem CID 85107178) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one
PubChem CID85107178
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one
SMILESC=C1CCC(C(C)(C)O)C=CC(C)CCC1=O
InChIInChI=1S/C15H24O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h5,8,11,13,17H,2,6-7,9-10H2,1,3-4H3
InChIKeyRJCCYTWCDOEWGM-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-2-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-2,5-cyclohexadiene-1,4-dione
CID 11393311
3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
Litseagermacrane
CID 10060039
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Indicumenone
CID 46173956
2-Hepten-4-one, 6-hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-
CID 558123
(5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-one
CID 11449579
Germacrenone
CID 90477896
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(1R,4S,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
CID 44423036
(1R,3aS,8aR)-8a-hydroxy-1,4-dimethyl-7-propan-2-ylidene-2,3,3a,8-tetrahydro-1H-azulen-6-one
CID 145950442
3-hydroxy-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 44349512

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one (CID 85107178) is 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one is C=C1CCC(C(C)(C)O)C=CC(C)CCC1=O.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one?
The InChIKey is RJCCYTWCDOEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h5,8,11,13,17H,2,6-7,9-10H2,1,3-4H3.
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one?
7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one is sourced from PubChem (CID 85107178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).