2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol

C18H30O3 — CID 56635647

IUPAC2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol
SMILESCCCC=CCCC=CCCC(O)CC(C)=C1OCCO1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-8-9-10-11-12-17(19)15-16(2)18-20-13-14-21-18/h5-6,9-10,17,19H,3-4,7-8,11-15H2,1-2H3
InChIKeyLABFINHEPQHYAN-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.49
Rot. Bonds10

About 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol

2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol (PubChem CID 56635647) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol
PubChem CID56635647
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol
SMILESCCCC=CCCC=CCCC(O)CC(C)=C1OCCO1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-8-9-10-11-12-17(19)15-16(2)18-20-13-14-21-18/h5-6,9-10,17,19H,3-4,7-8,11-15H2,1-2H3
InChIKeyLABFINHEPQHYAN-UHFFFAOYSA-N
XLogP4.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.49
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'}

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Related Compounds

5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
5-[2,2-Dimethyl-5-(4-methyl-pent-3-enyl)-[1,3]dioxolan-4-yl]-pent-4-en-2-ol
CID 145927282
(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 20531398
14-(1,3-Dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 70553534
(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-ol
CID 89902025
(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-ol
CID 89902100
(Z,2S,3R,6R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-ol
CID 89902107

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol?
The IUPAC name of 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol (CID 56635647) is 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol.
What is the SMILES notation for 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol?
The canonical SMILES for 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol is CCCC=CCCC=CCCC(O)CC(C)=C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol?
The InChIKey is LABFINHEPQHYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-4-5-6-7-8-9-10-11-12-17(19)15-16(2)18-20-13-14-21-18/h5-6,9-10,17,19H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol?
2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol has a molecular weight of 294.44 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol is sourced from PubChem (CID 56635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).