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

C18H30O3 — CID 20531398

IUPAC(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
SMILESC=C(C)CC(O)CC/C=C/CC/C=C/CCC1OCCO1
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/b7-5+,8-6+
InChIKeyJTHTYOIPFQHQFM-KQQUZDAGSA-N
MW294.44 g/mol
LogP4.14
Rot. Bonds11

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

(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol (PubChem CID 20531398) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol.

Molecular Properties

Compound Name(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
PubChem CID20531398
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
SMILESC=C(C)CC(O)CC/C=C/CC/C=C/CCC1OCCO1
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/b7-5+,8-6+
InChIKeyJTHTYOIPFQHQFM-KQQUZDAGSA-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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Related Compounds

5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
4-Allyl-2,2-dimethyl-5-(4-methyl-pent-3-enyl)-[1,3]dioxolane
CID 76004685
5-[2,2-Dimethyl-5-(4-methyl-pent-3-enyl)-[1,3]dioxolan-4-yl]-pent-4-en-2-ol
CID 145927282
7-Methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
CID 10797572
[2-(2,6-Dimethylhepta-2,6-dienyl)-1,3-dioxolan-4-yl]methanol
CID 53816556
1-(1,3-Dioxolan-2-yl)icos-11-en-3-ol
CID 54005703
2-(1,3-Dioxolan-2-ylidene)pentadeca-7,11-dien-4-ol
CID 56635647
1-Dec-7-en-5-yloxyhex-3-en-1-ol
CID 57210930
(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol
CID 67916379
14-(1,3-Dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 70553534
(Z)-1-[(Z)-dec-7-en-5-yl]oxyhex-3-en-1-ol
CID 88337620
CID 88935963
CID 88935963

Frequently Asked Questions

What is the IUPAC name of (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The IUPAC name of (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol (CID 20531398) is (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol.
What is the SMILES notation for (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The canonical SMILES for (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol is C=C(C)CC(O)CC/C=C/CC/C=C/CCC1OCCO1.
What is the InChIKey of (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
The InChIKey is JTHTYOIPFQHQFM-KQQUZDAGSA-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/b7-5+,8-6+.
What are the key properties of (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol?
(7E,11E)-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 (7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol is sourced from PubChem (CID 20531398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).