(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane

C15H26O2 — CID 10752444

IUPAC(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCC/C=C\C/C=C\[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-/t14-/m0/s1
InChIKeyGLJMPNDAPITFBD-ROLKAOPOSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds7

About (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10752444) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10752444
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCC/C=C\C/C=C\[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-/t14-/m0/s1
InChIKeyGLJMPNDAPITFBD-ROLKAOPOSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
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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Related Compounds

Geranial propylene glycol acetal
CID 5338463
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
1,4-Dioxaspiro[4.6]undeca-6,10-diene
CID 343120
3,4-Dehydrobrevicomin
CID 536095
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2,3-Dehydrobrevicomin
CID 125991
(3aS,5R,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965778
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane (CID 10752444) is (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane is CCCCC/C=C\C/C=C\[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is GLJMPNDAPITFBD-ROLKAOPOSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-/t14-/m0/s1.
What are the key properties of (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1Z,4Z)-deca-1,4-dienyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10752444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).