(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane

C14H24O — CID 138983956

IUPAC(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane
SMILESCC[C@]1(CCC2=CCCCC2)CCCO1
InChIInChI=1S/C14H24O/c1-2-14(10-6-12-15-14)11-9-13-7-4-3-5-8-13/h7H,2-6,8-12H2,1H3/t14-/m1/s1
InChIKeyVZMRAWNFFBSEGF-CQSZACIVSA-N
MW208.34 g/mol
LogP4.23
Rot. Bonds4

About (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane

(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane (PubChem CID 138983956) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane.

Molecular Properties

Compound Name(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane
PubChem CID138983956
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane
SMILESCC[C@]1(CCC2=CCCCC2)CCCO1
InChIInChI=1S/C14H24O/c1-2-14(10-6-12-15-14)11-9-13-7-4-3-5-8-13/h7H,2-6,8-12H2,1H3/t14-/m1/s1
InChIKeyVZMRAWNFFBSEGF-CQSZACIVSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
Bisabolene oxide
CID 56842615
Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
3,9-Epoxy-1-p-menthene
CID 131752931
Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan
CID 3024244
2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
CID 3024253
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane
CID 162965550
(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
CID 163046295
1-Oxaspiro[4.5]dec-7-ene
CID 13298430
Npc270619
CID 91753574
1-Methyl-4-(2-propoxypropan-2-yl)cyclohex-1-ene
CID 12814399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane?
The IUPAC name of (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane (CID 138983956) is (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane.
What is the SMILES notation for (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane?
The canonical SMILES for (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane is CC[C@]1(CCC2=CCCCC2)CCCO1.
What is the InChIKey of (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane?
The InChIKey is VZMRAWNFFBSEGF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24O/c1-2-14(10-6-12-15-14)11-9-13-7-4-3-5-8-13/h7H,2-6,8-12H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane?
(2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane has a molecular weight of 208.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxolane is sourced from PubChem (CID 138983956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).