1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol

C7H14O2 — CID 54261180

IUPAC1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)CCCO
InChIInChI=1S/C7H14O2/c1-6-5-7(6,9)3-2-4-8/h6,8-9H,2-5H2,1H3
InChIKeyRDPNLAYMAJEHMM-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.53
Rot. Bonds3

About 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol

1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol (PubChem CID 54261180) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
PubChem CID54261180
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)CCCO
InChIInChI=1S/C7H14O2/c1-6-5-7(6,9)3-2-4-8/h6,8-9H,2-5H2,1H3
InChIKeyRDPNLAYMAJEHMM-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol?
The IUPAC name of 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol (CID 54261180) is 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol?
The canonical SMILES for 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol is CC1CC1(O)CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol?
The InChIKey is RDPNLAYMAJEHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-5-7(6,9)3-2-4-8/h6,8-9H,2-5H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol?
1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol is sourced from PubChem (CID 54261180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).