(2Z)-2-benzylideneheptan-1-ol

C14H20O — CID 6076971

IUPAC(2Z)-2-benzylideneheptan-1-ol
SMILESCCCCC/C(=C/c1ccccc1)CO
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
InChIKeyLIPHCKNQPJXUQF-KAMYIIQDSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds6

About (2Z)-2-benzylideneheptan-1-ol

(2Z)-2-benzylideneheptan-1-ol (PubChem CID 6076971) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2Z)-2-benzylideneheptan-1-ol.

Molecular Properties

Compound Name(2Z)-2-benzylideneheptan-1-ol
PubChem CID6076971
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2Z)-2-benzylideneheptan-1-ol
SMILESCCCCC/C(=C/c1ccccc1)CO
InChIInChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
InChIKeyLIPHCKNQPJXUQF-KAMYIIQDSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylideneheptan-1-ol?
The IUPAC name of (2Z)-2-benzylideneheptan-1-ol (CID 6076971) is (2Z)-2-benzylideneheptan-1-ol.
What is the SMILES notation for (2Z)-2-benzylideneheptan-1-ol?
The canonical SMILES for (2Z)-2-benzylideneheptan-1-ol is CCCCC/C(=C/c1ccccc1)CO.
What is the InChIKey of (2Z)-2-benzylideneheptan-1-ol?
The InChIKey is LIPHCKNQPJXUQF-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-.
What are the key properties of (2Z)-2-benzylideneheptan-1-ol?
(2Z)-2-benzylideneheptan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylideneheptan-1-ol is sourced from PubChem (CID 6076971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).