14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol

C18H30O3 — CID 70553534

IUPAC14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
SMILESC=C(C)CC(O)CCC=CCCC=CCCC1OCCO1
InChIInChI=1S/C18H30O3/c1-16(2)15-17(19)11-9-7-5-3-4-6-8-10-12-18-20-13-14-21-18/h5-8,17-19H,1,3-4,9-15H2,2H3
InChIKeyJTHTYOIPFQHQFM-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.14
Rot. Bonds11

About 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol

14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol (PubChem CID 70553534) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol.

Molecular Properties

Compound Name14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
PubChem CID70553534
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
SMILESC=C(C)CC(O)CCC=CCCC=CCCC1OCCO1
InChIInChI=1S/C18H30O3/c1-16(2)15-17(19)11-9-7-5-3-4-6-8-10-12-18-20-13-14-21-18/h5-8,17-19H,1,3-4,9-15H2,2H3
InChIKeyJTHTYOIPFQHQFM-UHFFFAOYSA-N
XLogP4.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The IUPAC name of 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol (CID 70553534) is 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol.
What is the SMILES notation for 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The canonical SMILES for 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol is C=C(C)CC(O)CCC=CCCC=CCCC1OCCO1.
What is the InChIKey of 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The InChIKey is JTHTYOIPFQHQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-16(2)15-17(19)11-9-7-5-3-4-6-8-10-12-18-20-13-14-21-18/h5-8,17-19H,1,3-4,9-15H2,2H3.
What are the key properties of 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol has a molecular weight of 294.44 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol is sourced from PubChem (CID 70553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).