(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane

C20H38O2 — CID 10566963

IUPAC(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCCCCCC/C=C\[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-21-20(2,3)22-19/h16-17,19H,4-15,18H2,1-3H3/b17-16-/t19-/m0/s1
InChIKeyRAVRIBNGEJNJIB-MBWHEXEYSA-N
MW310.52 g/mol
LogP6.40
Rot. Bonds13

About (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane (PubChem CID 10566963) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane
PubChem CID10566963
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCCCCCC/C=C\[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-21-20(2,3)22-19/h16-17,19H,4-15,18H2,1-3H3/b17-16-/t19-/m0/s1
InChIKeyRAVRIBNGEJNJIB-MBWHEXEYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.40
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-[(Z)-pentadec-1-enyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane (CID 10566963) is (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane is CCCCCCCCCCCCC/C=C\[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane?
The InChIKey is RAVRIBNGEJNJIB-MBWHEXEYSA-N. The full InChI is InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-21-20(2,3)22-19/h16-17,19H,4-15,18H2,1-3H3/b17-16-/t19-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(Z)-pentadec-1-enyl]-1,3-dioxolane has a molecular weight of 310.52 g/mol, XLogP of 6.40, 13 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-[(Z)-pentadec-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 10566963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).