(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol

C18H24O — CID 10945056

IUPAC(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
SMILESC=CC[C@@H](Cc1ccccc1)C(O)(CC=C)CC=C
InChIInChI=1S/C18H24O/c1-4-10-17(15-16-11-8-7-9-12-16)18(19,13-5-2)14-6-3/h4-9,11-12,17,19H,1-3,10,13-15H2/t17-/m0/s1
InChIKeyYRRALJSTASHOCO-KRWDZBQOSA-N
MW256.39 g/mol
LogP4.30
Rot. Bonds9

About (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol

(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol (PubChem CID 10945056) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol.

Molecular Properties

Compound Name(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
PubChem CID10945056
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
SMILESC=CC[C@@H](Cc1ccccc1)C(O)(CC=C)CC=C
InChIInChI=1S/C18H24O/c1-4-10-17(15-16-11-8-7-9-12-16)18(19,13-5-2)14-6-3/h4-9,11-12,17,19H,1-3,10,13-15H2/t17-/m0/s1
InChIKeyYRRALJSTASHOCO-KRWDZBQOSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
N-[(2R)-1-phenylpent-4-en-2-yl]propan-2-imine
CID 125466288
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
1-phenylbut-3-ene-1,1-diol
CID 134892936
(2R,3S)-2-(N-benzylanilino)-3-ethylhex-5-en-3-ol
CID 178185677
2-benzyl-1,1,1-trifluoropent-4-en-2-ol
CID 14764222
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
prop-2-enylbenzene
CID 159998516

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol?
The IUPAC name of (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol (CID 10945056) is (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol.
What is the SMILES notation for (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol?
The canonical SMILES for (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol is C=CC[C@@H](Cc1ccccc1)C(O)(CC=C)CC=C.
What is the InChIKey of (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol?
The InChIKey is YRRALJSTASHOCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24O/c1-4-10-17(15-16-11-8-7-9-12-16)18(19,13-5-2)14-6-3/h4-9,11-12,17,19H,1-3,10,13-15H2/t17-/m0/s1.
What are the key properties of (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol?
(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol has a molecular weight of 256.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol is sourced from PubChem (CID 10945056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).