(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol

C17H22O — CID 71425389

IUPAC(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
SMILESCC=CC#CC#CC=CC=CCCC[C@@H](O)CC
InChIInChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3,5,10-13,17-18H,4,14-16H2,1-2H3/t17-/m0/s1
InChIKeyXPWLAWRNRFNDED-KRWDZBQOSA-N
MW242.36 g/mol
LogP3.62
Rot. Bonds6

About (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol

(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol (PubChem CID 71425389) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol.

Molecular Properties

Compound Name(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
PubChem CID71425389
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
SMILESCC=CC#CC#CC=CC=CCCC[C@@H](O)CC
InChIInChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3,5,10-13,17-18H,4,14-16H2,1-2H3/t17-/m0/s1
InChIKeyXPWLAWRNRFNDED-KRWDZBQOSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-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

hexadeca-6,8,14-trien-10,12-diynoic acid
CID 85034016
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
CID 97297315
heptadeca-8,10-dien-4,6-diyne-1,14-diol
CID 74932187
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
CID 25016840
(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 101414495
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
dec-8-en-4-ol
CID 56606618
(E)-dec-8-en-4-ol
CID 19937281
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
CID 141351102
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693

Frequently Asked Questions

What is the IUPAC name of (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol?
The IUPAC name of (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol (CID 71425389) is (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol.
What is the SMILES notation for (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol?
The canonical SMILES for (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol is CC=CC#CC#CC=CC=CCCC[C@@H](O)CC.
What is the InChIKey of (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol?
The InChIKey is XPWLAWRNRFNDED-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3,5,10-13,17-18H,4,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol?
(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol has a molecular weight of 242.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol is sourced from PubChem (CID 71425389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).