(1-methoxycycloheptyl)methanol

C9H18O2 — CID 130591115

IUPAC(1-methoxycycloheptyl)methanol
SMILESCOC1(CO)CCCCCC1
InChIInChI=1S/C9H18O2/c1-11-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3
InChIKeyJIPPHBJFGSRPOV-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds2

About (1-methoxycycloheptyl)methanol

(1-methoxycycloheptyl)methanol (PubChem CID 130591115) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(1-methoxycycloheptyl)methanol
PubChem CID130591115
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(1-methoxycycloheptyl)methanol
SMILESCOC1(CO)CCCCCC1
InChIInChI=1S/C9H18O2/c1-11-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3
InChIKeyJIPPHBJFGSRPOV-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)methanol?
The IUPAC name of (1-methoxycycloheptyl)methanol (CID 130591115) is (1-methoxycycloheptyl)methanol.
What is the SMILES notation for (1-methoxycycloheptyl)methanol?
The canonical SMILES for (1-methoxycycloheptyl)methanol is COC1(CO)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)methanol?
The InChIKey is JIPPHBJFGSRPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-11-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3.
What are the key properties of (1-methoxycycloheptyl)methanol?
(1-methoxycycloheptyl)methanol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)methanol is sourced from PubChem (CID 130591115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).