[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate

C17H28O2 — CID 10849244

IUPAC[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate
SMILESCC(C)=CCC[C@@H](C)CC(=O)O[C@H]1C=C(C)CCC1
InChIInChI=1S/C17H28O2/c1-13(2)7-5-8-15(4)12-17(18)19-16-10-6-9-14(3)11-16/h7,11,15-16H,5-6,8-10,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyBXVSMYLDTHKMIF-HZPDHXFCSA-N
MW264.41 g/mol
LogP4.80
Rot. Bonds6

About [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate

[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate (PubChem CID 10849244) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Name[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate
PubChem CID10849244
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate
SMILESCC(C)=CCC[C@@H](C)CC(=O)O[C@H]1C=C(C)CCC1
InChIInChI=1S/C17H28O2/c1-13(2)7-5-8-15(4)12-17(18)19-16-10-6-9-14(3)11-16/h7,11,15-16H,5-6,8-10,12H2,1-4H3/t15-,16-/m1/s1
InChIKeyBXVSMYLDTHKMIF-HZPDHXFCSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate with MolForge

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Related Compounds

(3-methylcyclohex-2-en-1-yl) formate
CID 87738453
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
2-[(3R)-3,7-dimethyloct-6-enoyl]oxybenzoic acid
CID 125495466
(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate
CID 91129325
3-hydroxy-4-(6-methylhept-5-en-2-yl)cyclohexene-1-carboxylic acid
CID 162944174
[(1S,5S,6S,10R)-7-formyl-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidene-10-bicyclo[4.3.1]dec-7-enyl] acetate
CID 163056766
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
(1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde
CID 163028991
(1S,4R,4aR,8aR)-4-methoxy-4,7-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 23426652

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate?
The IUPAC name of [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate (CID 10849244) is [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate.
What is the SMILES notation for [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate?
The canonical SMILES for [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate is CC(C)=CCC[C@@H](C)CC(=O)O[C@H]1C=C(C)CCC1.
What is the InChIKey of [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate?
The InChIKey is BXVSMYLDTHKMIF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)7-5-8-15(4)12-17(18)19-16-10-6-9-14(3)11-16/h7,11,15-16H,5-6,8-10,12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate?
[(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate has a molecular weight of 264.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methylcyclohex-2-en-1-yl] (3R)-3,7-dimethyloct-6-enoate is sourced from PubChem (CID 10849244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).