1-cyclopropyl-1,3-dimethoxypropan-2-ol

C8H16O3 — CID 116712579

IUPAC1-cyclopropyl-1,3-dimethoxypropan-2-ol
SMILESCOCC(O)C(OC)C1CC1
InChIInChI=1S/C8H16O3/c1-10-5-7(9)8(11-2)6-3-4-6/h6-9H,3-5H2,1-2H3
InChIKeyVQEYESXQCYSWOO-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds5

About 1-cyclopropyl-1,3-dimethoxypropan-2-ol

1-cyclopropyl-1,3-dimethoxypropan-2-ol (PubChem CID 116712579) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-cyclopropyl-1,3-dimethoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1,3-dimethoxypropan-2-ol
PubChem CID116712579
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-cyclopropyl-1,3-dimethoxypropan-2-ol
SMILESCOCC(O)C(OC)C1CC1
InChIInChI=1S/C8H16O3/c1-10-5-7(9)8(11-2)6-3-4-6/h6-9H,3-5H2,1-2H3
InChIKeyVQEYESXQCYSWOO-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-cyclopropyl-1-methoxydodecan-2-ol
CID 116712498
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644
1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
CID 116712667
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
CID 141338727
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1,3-dimethoxypropan-2-ol?
The IUPAC name of 1-cyclopropyl-1,3-dimethoxypropan-2-ol (CID 116712579) is 1-cyclopropyl-1,3-dimethoxypropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1,3-dimethoxypropan-2-ol?
The canonical SMILES for 1-cyclopropyl-1,3-dimethoxypropan-2-ol is COCC(O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1,3-dimethoxypropan-2-ol?
The InChIKey is VQEYESXQCYSWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-5-7(9)8(11-2)6-3-4-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-1,3-dimethoxypropan-2-ol?
1-cyclopropyl-1,3-dimethoxypropan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,3-dimethoxypropan-2-ol is sourced from PubChem (CID 116712579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).