[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol

C15H25NO — CID 68705962

IUPAC[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCCN1CCCCCC1C1(CO)C=CC=CC1
InChIInChI=1S/C15H25NO/c1-2-16-12-8-3-5-9-14(16)15(13-17)10-6-4-7-11-15/h4,6-7,10,14,17H,2-3,5,8-9,11-13H2,1H3
InChIKeyDAAOICFXYYOUSC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol

[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 68705962) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID68705962
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCCN1CCCCCC1C1(CO)C=CC=CC1
InChIInChI=1S/C15H25NO/c1-2-16-12-8-3-5-9-14(16)15(13-17)10-6-4-7-11-15/h4,6-7,10,14,17H,2-3,5,8-9,11-13H2,1H3
InChIKeyDAAOICFXYYOUSC-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol (CID 68705962) is [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol is CCN1CCCCCC1C1(CO)C=CC=CC1.
What is the InChIKey of [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is DAAOICFXYYOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-16-12-8-3-5-9-14(16)15(13-17)10-6-4-7-11-15/h4,6-7,10,14,17H,2-3,5,8-9,11-13H2,1H3.
What are the key properties of [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
[1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylazepan-2-yl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 68705962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).