(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane

C13H22O2 — CID 170034463

IUPAC(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
SMILESCO[C@H]1OC(C)(C)CC1C1=CCCCC1
InChIInChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyFDCVEDQXTNOOTD-KIYNQFGBSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds2

About (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane

(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane (PubChem CID 170034463) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane.

Molecular Properties

Compound Name(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
PubChem CID170034463
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
SMILESCO[C@H]1OC(C)(C)CC1C1=CCCCC1
InChIInChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyFDCVEDQXTNOOTD-KIYNQFGBSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
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

4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
5-[4-(Diethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 139767872
Cyclohexene, 4-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016657
Cyclohexene, 5-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016658
2-(5,9-Dimethyldec-8-enyl)-1,3-dioxolane
CID 134979706
1,3-Dioxolane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-
CID 106947
4-(3-(1-Ethoxyethoxy)-1-methylenepropyl)-1-methylcyclohexene
CID 175289
1-Methoxy-6,8-dimethyl-2-oxaspiro[4.5]dec-7-ene
CID 66608614
(2R,3R)-5-butoxy-2-butyl-3-ethenyloxolane
CID 12172618
(2R,3R)-5-butoxy-2-butyl-3-prop-1-en-2-yloxolane
CID 12172621
(2R,3R)-3-(6-methylhepta-1,5-dien-2-yl)-5-[(2-methylpropan-2-yl)oxy]-2-(2-methylprop-2-enyl)oxolane
CID 50905554
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 (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The IUPAC name of (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane (CID 170034463) is (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane.
What is the SMILES notation for (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The canonical SMILES for (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane is CO[C@H]1OC(C)(C)CC1C1=CCCCC1.
What is the InChIKey of (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
The InChIKey is FDCVEDQXTNOOTD-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2)9-11(12(14-3)15-13)10-7-5-4-6-8-10/h7,11-12H,4-6,8-9H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane?
(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane is sourced from PubChem (CID 170034463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).