2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol

C11H20O3 — CID 106651265

IUPAC2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)C1=CCCCC1
InChIInChI=1S/C11H20O3/c1-11(12,10(13-2)14-3)9-7-5-4-6-8-9/h7,10,12H,4-6,8H2,1-3H3
InChIKeyPCXYETYQVLNORJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol

2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol (PubChem CID 106651265) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
PubChem CID106651265
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)C1=CCCCC1
InChIInChI=1S/C11H20O3/c1-11(12,10(13-2)14-3)9-7-5-4-6-8-9/h7,10,12H,4-6,8H2,1-3H3
InChIKeyPCXYETYQVLNORJ-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
1-tert-butylcyclopentene
CID 13414410
1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
CID 106651344
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol (CID 106651265) is 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol is COC(OC)C(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol?
The InChIKey is PCXYETYQVLNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(12,10(13-2)14-3)9-7-5-4-6-8-9/h7,10,12H,4-6,8H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol?
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 106651265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).