(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol

C13H20O — CID 88877979

IUPAC(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)C1CCCCC1
InChIInChI=1S/C13H20O/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/b11-9+,13-10+
InChIKeyMDJKFYVJZGQVMN-HOJJKJLFSA-N
MW192.30 g/mol
LogP4.14
Rot. Bonds3

About (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol

(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol (PubChem CID 88877979) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
PubChem CID88877979
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)C1CCCCC1
InChIInChI=1S/C13H20O/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/b11-9+,13-10+
InChIKeyMDJKFYVJZGQVMN-HOJJKJLFSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol (CID 88877979) is (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol is C=C/C(O)=C\C=C(/C)C1CCCCC1.
What is the InChIKey of (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol?
The InChIKey is MDJKFYVJZGQVMN-HOJJKJLFSA-N. The full InChI is InChI=1S/C13H20O/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,9-10,12,14H,1,4-8H2,2H3/b11-9+,13-10+.
What are the key properties of (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol?
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol has a molecular weight of 192.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol is sourced from PubChem (CID 88877979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).