[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate

C17H26O2 — CID 163193190

IUPAC[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=C(C)C)C/C=C(\C)CCC=C1C
InChIInChI=1S/C17H26O2/c1-12(2)16-10-9-13(3)7-6-8-14(4)17(11-16)19-15(5)18/h8-9,17H,6-7,10-11H2,1-5H3/b13-9+,14-8?/t17-/m1/s1
InChIKeyOXJUCRSRUSGNPP-SRMQNMJFSA-N
MW262.39 g/mol
LogP4.72
Rot. Bonds1

About [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate

[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate (PubChem CID 163193190) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate.

Molecular Properties

Compound Name[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate
PubChem CID163193190
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=C(C)C)C/C=C(\C)CCC=C1C
InChIInChI=1S/C17H26O2/c1-12(2)16-10-9-13(3)7-6-8-14(4)17(11-16)19-15(5)18/h8-9,17H,6-7,10-11H2,1-5H3/b13-9+,14-8?/t17-/m1/s1
InChIKeyOXJUCRSRUSGNPP-SRMQNMJFSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl) acetate
CID 162948395
(1R)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-ol
CID 162923508
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 14336535
[(3aS,5S,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-5-yl] acetate
CID 46930774
[(3R,3aR,5R,6E,10E,11aR)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl] acetate
CID 162918739
[(3S,3aS,5R,10E,11aR)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-5-yl] acetate
CID 163189636
(6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl) acetate
CID 73189398
[(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-yl] 4-methylbenzoate
CID 141431296
[5-(2-acetyloxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] acetate
CID 10083656
[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
[(4Z)-8-acetyloxy-5-methylcyclooct-4-en-1-yl] acetate
CID 23092778
(1R)-2-methyl-5-propan-2-ylidenecyclohex-2-en-1-ol
CID 102442221

Frequently Asked Questions

What is the IUPAC name of [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate?
The IUPAC name of [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate (CID 163193190) is [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate.
What is the SMILES notation for [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate?
The canonical SMILES for [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate is CC(=O)O[C@@H]1CC(=C(C)C)C/C=C(\C)CCC=C1C.
What is the InChIKey of [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate?
The InChIKey is OXJUCRSRUSGNPP-SRMQNMJFSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)16-10-9-13(3)7-6-8-14(4)17(11-16)19-15(5)18/h8-9,17H,6-7,10-11H2,1-5H3/b13-9+,14-8?/t17-/m1/s1.
What are the key properties of [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate?
[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate is sourced from PubChem (CID 163193190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).