2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol

C13H24O2 — CID 116755946

IUPAC2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)CC2CC2)CCCCCC1
InChIInChI=1S/C13H24O2/c1-15-13(8-4-2-3-5-9-13)12(14)10-11-6-7-11/h11-12,14H,2-10H2,1H3
InChIKeyMNKMXUIFFAJFOI-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds4

About 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol

2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol (PubChem CID 116755946) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
PubChem CID116755946
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
SMILESCOC1(C(O)CC2CC2)CCCCCC1
InChIInChI=1S/C13H24O2/c1-15-13(8-4-2-3-5-9-13)12(14)10-11-6-7-11/h11-12,14H,2-10H2,1H3
InChIKeyMNKMXUIFFAJFOI-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol?
The IUPAC name of 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol (CID 116755946) is 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol?
The canonical SMILES for 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol is COC1(C(O)CC2CC2)CCCCCC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol?
The InChIKey is MNKMXUIFFAJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-15-13(8-4-2-3-5-9-13)12(14)10-11-6-7-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol?
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol is sourced from PubChem (CID 116755946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).