2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane

C15H26O2 — CID 162745512

IUPAC2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCCCCC1CC=C(CCC2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h7,13,15H,2-6,8-12H2,1H3
InChIKeyRLCVEAAHCBCYSH-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds6

About 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane

2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane (PubChem CID 162745512) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
PubChem CID162745512
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCCCCC1CC=C(CCC2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h7,13,15H,2-6,8-12H2,1H3
InChIKeyRLCVEAAHCBCYSH-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
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

3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745472
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
1-(2-cycloheptylethyl)-4-hexylcycloheptene
CID 91180129
[(4R)-4-propylcyclohexen-1-yl]methanol
CID 163783069
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-butylcyclohexene-1-carboxylic acid
CID 14066826
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-(1,3-dioxolan-2-yl)-2-methyl-3-[(4S)-4-propylcyclohexen-1-yl]propan-1-one
CID 139533951
4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane (CID 162745512) is 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane is CCCCC1CC=C(CCC2OCCO2)CC1.
What is the InChIKey of 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The InChIKey is RLCVEAAHCBCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h7,13,15H,2-6,8-12H2,1H3.
What are the key properties of 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 162745512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).