8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol

C20H28O3 — CID 15081415

IUPAC8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol
SMILESC=CCCCCCC1OC(C)(C)OC1CC#CC#CC(O)C=C
InChIInChI=1S/C20H28O3/c1-5-7-8-9-12-15-18-19(23-20(3,4)22-18)16-13-10-11-14-17(21)6-2/h5-6,17-19,21H,1-2,7-9,12,15-16H2,3-4H3
InChIKeyGVKARGKQHKVPBI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.59
Rot. Bonds8

About 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol

8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol (PubChem CID 15081415) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol.

Molecular Properties

Compound Name8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol
PubChem CID15081415
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol
SMILESC=CCCCCCC1OC(C)(C)OC1CC#CC#CC(O)C=C
InChIInChI=1S/C20H28O3/c1-5-7-8-9-12-15-18-19(23-20(3,4)22-18)16-13-10-11-14-17(21)6-2/h5-6,17-19,21H,1-2,7-9,12,15-16H2,3-4H3
InChIKeyGVKARGKQHKVPBI-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-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

8-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-2-en-4,6-diyn-1-ol
CID 123197702
(3R)-8-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 10805530
5-(2,2-Dimethyl-5-prop-1-ynyl-[1,3]dioxolan-4-yl)-pent-1-en-3-ol
CID 129712606
5-(2-Hexyl-1,3-dioxolan-2-yl)pent-1-en-4-yn-3-ol
CID 135044844
5-[2-(3-Hydroxypent-4-enyl)-1,3-dioxolan-2-yl]pent-1-en-3-ol
CID 15314581
(3R)-8-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 10403614
11,11-Ethylenedioxy-3,7-dihydroxy-1-dodecene
CID 21501122
(3S)-8-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 25173539
(3S)-8-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 46184190
(3R)-8-[(4R,5R)-5-(4-cyclopropylbutyl)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 58560661
(4R,5R)-4-heptyl-5-[(6R)-6-methoxyoct-7-en-2,4-diynyl]-2,2-dimethyl-1,3-dioxolane
CID 58560672
(3R)-8-[(4R,5R)-5-(cyclohexylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-4,6-diyn-3-ol
CID 58560674

Frequently Asked Questions

What is the IUPAC name of 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol?
The IUPAC name of 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol (CID 15081415) is 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol.
What is the SMILES notation for 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol?
The canonical SMILES for 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol is C=CCCCCCC1OC(C)(C)OC1CC#CC#CC(O)C=C.
What is the InChIKey of 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol?
The InChIKey is GVKARGKQHKVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-5-7-8-9-12-15-18-19(23-20(3,4)22-18)16-13-10-11-14-17(21)6-2/h5-6,17-19,21H,1-2,7-9,12,15-16H2,3-4H3.
What are the key properties of 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol?
8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol has a molecular weight of 316.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-hept-6-enyl-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-4,6-diyn-3-ol is sourced from PubChem (CID 15081415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).