2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane

C15H28O2 — CID 134995175

IUPAC2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCC/C(C)=C\C1OCCO1
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14(2)13-15-16-11-12-17-15/h13,15H,3-12H2,1-2H3/b14-13-
InChIKeyQPYRRPVRPSMJLQ-YPKPFQOOSA-N
MW240.39 g/mol
LogP4.45
Rot. Bonds9

About 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane

2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane (PubChem CID 134995175) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
PubChem CID134995175
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCC/C(C)=C\C1OCCO1
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14(2)13-15-16-11-12-17-15/h13,15H,3-12H2,1-2H3/b14-13-
InChIKeyQPYRRPVRPSMJLQ-YPKPFQOOSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.45
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

Citral diethyl acetal
CID 5365794
Geranial propylene glycol acetal
CID 5338463
Citracetal
CID 1615097
Neral diethyl acetal
CID 5772036
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2E)-
CID 5366408
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-
CID 6437573
(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
CID 24113
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
2,6-Octadiene, 1-(2,2-dimethoxyethoxy)-3,7-dimethyl-, (E)-
CID 6365747

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane (CID 134995175) is 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane is CCCCCCCCC/C(C)=C\C1OCCO1.
What is the InChIKey of 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane?
The InChIKey is QPYRRPVRPSMJLQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-14(2)13-15-16-11-12-17-15/h13,15H,3-12H2,1-2H3/b14-13-.
What are the key properties of 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane?
2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 134995175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).