2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane

C13H22O2 — CID 22042413

IUPAC2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane
SMILESCCCC/C=C/C1(C2(C)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-13(8-9-13)12(2)14-10-11-15-12/h6-7H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyLDHZCMFEMNTCRF-VOTSOKGWSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane

2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane (PubChem CID 22042413) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane
PubChem CID22042413
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane
SMILESCCCC/C=C/C1(C2(C)OCCO2)CC1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-13(8-9-13)12(2)14-10-11-15-12/h6-7H,3-5,8-11H2,1-2H3/b7-6+
InChIKeyLDHZCMFEMNTCRF-VOTSOKGWSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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

1-[(Z)-hex-1-enyl]-1-methylcyclopentane
CID 58896041
(E)-hept-2-en-1-amine
CID 10779517
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
dec-5-ene;trihydrobromide
CID 175802238
1-(2-pentyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
CID 22042318
1-[(E)-hex-1-enyl]-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14737856
2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide
CID 70211952
1-[(E)-dodec-1-enyl]cyclohexan-1-ol
CID 14571858
2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
CID 11789753
dioxane;octa-1,3-dien-1-ol
CID 173366505

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane (CID 22042413) is 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane is CCCC/C=C/C1(C2(C)OCCO2)CC1.
What is the InChIKey of 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane?
The InChIKey is LDHZCMFEMNTCRF-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-7-13(8-9-13)12(2)14-10-11-15-12/h6-7H,3-5,8-11H2,1-2H3/b7-6+.
What are the key properties of 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane?
2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 22042413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).