4-ethyl-2-methoxycyclohexan-1-ol

C9H18O2 — CID 20600623

IUPAC4-ethyl-2-methoxycyclohexan-1-ol
SMILESCCC1CCC(O)C(OC)C1
InChIInChI=1S/C9H18O2/c1-3-7-4-5-8(10)9(6-7)11-2/h7-10H,3-6H2,1-2H3
InChIKeyBTTPIFNKUNMQDM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds2

About 4-ethyl-2-methoxycyclohexan-1-ol

4-ethyl-2-methoxycyclohexan-1-ol (PubChem CID 20600623) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-ethyl-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-methoxycyclohexan-1-ol
PubChem CID20600623
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-ethyl-2-methoxycyclohexan-1-ol
SMILESCCC1CCC(O)C(OC)C1
InChIInChI=1S/C9H18O2/c1-3-7-4-5-8(10)9(6-7)11-2/h7-10H,3-6H2,1-2H3
InChIKeyBTTPIFNKUNMQDM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxycyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-methoxycyclohexan-1-ol (CID 20600623) is 4-ethyl-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-methoxycyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-methoxycyclohexan-1-ol is CCC1CCC(O)C(OC)C1.
What is the InChIKey of 4-ethyl-2-methoxycyclohexan-1-ol?
The InChIKey is BTTPIFNKUNMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-7-4-5-8(10)9(6-7)11-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-methoxycyclohexan-1-ol?
4-ethyl-2-methoxycyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 20600623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).