4-methoxycyclooctan-1-ol

C9H18O2 — CID 12651700

IUPAC4-methoxycyclooctan-1-ol
SMILESCOC1CCCCC(O)CC1
InChIInChI=1S/C9H18O2/c1-11-9-5-3-2-4-8(10)6-7-9/h8-10H,2-7H2,1H3
InChIKeyXNKZSCQKWWXUAW-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds1

About 4-methoxycyclooctan-1-ol

4-methoxycyclooctan-1-ol (PubChem CID 12651700) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methoxycyclooctan-1-ol.

Molecular Properties

Compound Name4-methoxycyclooctan-1-ol
PubChem CID12651700
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-methoxycyclooctan-1-ol
SMILESCOC1CCCCC(O)CC1
InChIInChI=1S/C9H18O2/c1-11-9-5-3-2-4-8(10)6-7-9/h8-10H,2-7H2,1H3
InChIKeyXNKZSCQKWWXUAW-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-methoxycyclooctan-1-ol?
The IUPAC name of 4-methoxycyclooctan-1-ol (CID 12651700) is 4-methoxycyclooctan-1-ol.
What is the SMILES notation for 4-methoxycyclooctan-1-ol?
The canonical SMILES for 4-methoxycyclooctan-1-ol is COC1CCCCC(O)CC1.
What is the InChIKey of 4-methoxycyclooctan-1-ol?
The InChIKey is XNKZSCQKWWXUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-11-9-5-3-2-4-8(10)6-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-methoxycyclooctan-1-ol?
4-methoxycyclooctan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclooctan-1-ol is sourced from PubChem (CID 12651700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).