6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol

C17H28O2 — CID 11086655

IUPAC6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol
SMILESC/C=C/C=C/CCC1CCC(OCC(C)C)=CC1O
InChIInChI=1S/C17H28O2/c1-4-5-6-7-8-9-15-10-11-16(12-17(15)18)19-13-14(2)3/h4-7,12,14-15,17-18H,8-11,13H2,1-3H3/b5-4+,7-6+
InChIKeyCFYHBAXXXWBBRF-YTXTXJHMSA-N
MW264.41 g/mol
LogP4.23
Rot. Bonds7

About 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol

6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol (PubChem CID 11086655) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol
PubChem CID11086655
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol
SMILESC/C=C/C=C/CCC1CCC(OCC(C)C)=CC1O
InChIInChI=1S/C17H28O2/c1-4-5-6-7-8-9-15-10-11-16(12-17(15)18)19-13-14(2)3/h4-7,12,14-15,17-18H,8-11,13H2,1-3H3/b5-4+,7-6+
InChIKeyCFYHBAXXXWBBRF-YTXTXJHMSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol?
The IUPAC name of 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol (CID 11086655) is 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol.
What is the SMILES notation for 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol?
The canonical SMILES for 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol is C/C=C/C=C/CCC1CCC(OCC(C)C)=CC1O.
What is the InChIKey of 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol?
The InChIKey is CFYHBAXXXWBBRF-YTXTXJHMSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-5-6-7-8-9-15-10-11-16(12-17(15)18)19-13-14(2)3/h4-7,12,14-15,17-18H,8-11,13H2,1-3H3/b5-4+,7-6+.
What are the key properties of 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol?
6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5E)-hepta-3,5-dienyl]-3-(2-methylpropoxy)cyclohex-2-en-1-ol is sourced from PubChem (CID 11086655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).