(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane

C24H44O3 — CID 11222743

IUPAC(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane
SMILESCCCCC/C=C\C/C=C\[C@@H]1OC(C)(OC)O[C@H]1CCCCCCCCC
InChIInChI=1S/C24H44O3/c1-5-7-9-11-13-15-17-19-21-23-22(26-24(3,25-4)27-23)20-18-16-14-12-10-8-6-2/h13,15,19,21-23H,5-12,14,16-18,20H2,1-4H3/b15-13-,21-19-/t22-,23-,24?/m0/s1
InChIKeyFWZZUBDIXMUZSX-BWSDDLHESA-N
MW380.61 g/mol
LogP7.31
Rot. Bonds16

About (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane

(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane (PubChem CID 11222743) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane
PubChem CID11222743
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane
SMILESCCCCC/C=C\C/C=C\[C@@H]1OC(C)(OC)O[C@H]1CCCCCCCCC
InChIInChI=1S/C24H44O3/c1-5-7-9-11-13-15-17-19-21-23-22(26-24(3,25-4)27-23)20-18-16-14-12-10-8-6-2/h13,15,19,21-23H,5-12,14,16-18,20H2,1-4H3/b15-13-,21-19-/t22-,23-,24?/m0/s1
InChIKeyFWZZUBDIXMUZSX-BWSDDLHESA-N
XLogP7.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.31
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,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane (CID 11222743) is (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane is CCCCC/C=C\C/C=C\[C@@H]1OC(C)(OC)O[C@H]1CCCCCCCCC.
What is the InChIKey of (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane?
The InChIKey is FWZZUBDIXMUZSX-BWSDDLHESA-N. The full InChI is InChI=1S/C24H44O3/c1-5-7-9-11-13-15-17-19-21-23-22(26-24(3,25-4)27-23)20-18-16-14-12-10-8-6-2/h13,15,19,21-23H,5-12,14,16-18,20H2,1-4H3/b15-13-,21-19-/t22-,23-,24?/m0/s1.
What are the key properties of (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane?
(4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane has a molecular weight of 380.61 g/mol, XLogP of 7.31, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2-methoxy-2-methyl-5-nonyl-1,3-dioxolane is sourced from PubChem (CID 11222743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).