2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol

C9H16O3 — CID 22042297

IUPAC2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
SMILESCC1(C2(CCO)CC2)OCCO1
InChIInChI=1S/C9H16O3/c1-8(11-6-7-12-8)9(2-3-9)4-5-10/h10H,2-7H2,1H3
InChIKeyRBOZMJQHIWKXCC-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds3

About 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol

2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol (PubChem CID 22042297) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
PubChem CID22042297
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol
SMILESCC1(C2(CCO)CC2)OCCO1
InChIInChI=1S/C9H16O3/c1-8(11-6-7-12-8)9(2-3-9)4-5-10/h10H,2-7H2,1H3
InChIKeyRBOZMJQHIWKXCC-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The IUPAC name of 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol (CID 22042297) is 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The canonical SMILES for 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol is CC1(C2(CCO)CC2)OCCO1.
What is the InChIKey of 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
The InChIKey is RBOZMJQHIWKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(11-6-7-12-8)9(2-3-9)4-5-10/h10H,2-7H2,1H3.
What are the key properties of 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol?
2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1,3-dioxolan-2-yl)cyclopropyl]ethanol is sourced from PubChem (CID 22042297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).