2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane

C20H38O2 — CID 10870631

IUPAC2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane
SMILESC=C(C)C(CCC(C)CCCC(C)C)CCC1(C)OCCO1
InChIInChI=1S/C20H38O2/c1-16(2)8-7-9-18(5)10-11-19(17(3)4)12-13-20(6)21-14-15-22-20/h16,18-19H,3,7-15H2,1-2,4-6H3
InChIKeyYZILLRAANDPZKZ-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.96
Rot. Bonds11

About 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane

2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane (PubChem CID 10870631) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane
PubChem CID10870631
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane
SMILESC=C(C)C(CCC(C)CCCC(C)C)CCC1(C)OCCO1
InChIInChI=1S/C20H38O2/c1-16(2)8-7-9-18(5)10-11-19(17(3)4)12-13-20(6)21-14-15-22-20/h16,18-19H,3,7-15H2,1-2,4-6H3
InChIKeyYZILLRAANDPZKZ-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane
CID 10936222
(4beta)-1beta,7-(Isopropylidenedioxy)-p-mentha-8-ene
CID 9794331
6,12-Dimethyl-5-pentadecen-2-one ethylene ketal
CID 57116844
(4R)-4-[(2S,3S,5S)-5-fluoro-3-(fluoromethyl)-2,6-dimethylhept-6-enyl]-2-propyl-1,3-dioxolane
CID 167147533
2-methyl-2-[(Z)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane
CID 10935829
2-methyl-2-[(E)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxolane
CID 20566859
2-(3,4-Dimethylpent-4-enyl)-2-methyl-1,3-dioxolane
CID 12622223
2-Methyl-2-(3-prop-1-en-2-ylheptyl)-1,3-dioxolane
CID 12622224
2-Methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
3,3-Ethylenedioxy-2,6r-dimethyltetradec-8-ene
CID 129820178
8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 155935847

Frequently Asked Questions

What is the IUPAC name of 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane (CID 10870631) is 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane is C=C(C)C(CCC(C)CCCC(C)C)CCC1(C)OCCO1.
What is the InChIKey of 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane?
The InChIKey is YZILLRAANDPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-16(2)8-7-9-18(5)10-11-19(17(3)4)12-13-20(6)21-14-15-22-20/h16,18-19H,3,7-15H2,1-2,4-6H3.
What are the key properties of 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane?
2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane has a molecular weight of 310.52 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,10-dimethyl-3-prop-1-en-2-ylundecyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10870631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).