(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane

C19H36O2 — CID 23259843

IUPAC(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCCCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-20-19(2,3)21-18/h15-16,18H,4-14,17H2,1-3H3/b16-15+/t18-/m0/s1
InChIKeyGXOGSIBPUKDRII-ZPICJPFVSA-N
MW296.50 g/mol
LogP6.01
Rot. Bonds12

About (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane (PubChem CID 23259843) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane
PubChem CID23259843
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCCCCC/C=C/[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-20-19(2,3)21-18/h15-16,18H,4-14,17H2,1-3H3/b16-15+/t18-/m0/s1
InChIKeyGXOGSIBPUKDRII-ZPICJPFVSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane (CID 23259843) is (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane is CCCCCCCCCCCC/C=C/[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane?
The InChIKey is GXOGSIBPUKDRII-ZPICJPFVSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-20-19(2,3)21-18/h15-16,18H,4-14,17H2,1-3H3/b16-15+/t18-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane has a molecular weight of 296.50 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(E)-tetradec-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 23259843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).