(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane

C23H42O3 — CID 11394482

IUPAC(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
SMILESC=CCO[C@@](CC=C)(CCCCCCCCCCC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C23H42O3/c1-6-9-10-11-12-13-14-15-16-18-23(17-7-2,24-19-8-3)21-20-25-22(4,5)26-21/h7-8,21H,2-3,6,9-20H2,1,4-5H3/t21-,23-/m0/s1
InChIKeyONHOMYMVGVKMKP-GMAHTHKFSA-N
MW366.59 g/mol
LogP6.58
Rot. Bonds16

About (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane (PubChem CID 11394482) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
PubChem CID11394482
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
SMILESC=CCO[C@@](CC=C)(CCCCCCCCCCC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C23H42O3/c1-6-9-10-11-12-13-14-15-16-18-23(17-7-2,24-19-8-3)21-20-25-22(4,5)26-21/h7-8,21H,2-3,6,9-20H2,1,4-5H3/t21-,23-/m0/s1
InChIKeyONHOMYMVGVKMKP-GMAHTHKFSA-N
XLogP6.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.58
H-Bond Donors ≤ 50
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 (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane (CID 11394482) is (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane is C=CCO[C@@](CC=C)(CCCCCCCCCCC)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane?
The InChIKey is ONHOMYMVGVKMKP-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H42O3/c1-6-9-10-11-12-13-14-15-16-18-23(17-7-2,24-19-8-3)21-20-25-22(4,5)26-21/h7-8,21H,2-3,6,9-20H2,1,4-5H3/t21-,23-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane has a molecular weight of 366.59 g/mol, XLogP of 6.58, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane is sourced from PubChem (CID 11394482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).