(4S)-4-ethylazepan-4-ol

C8H17NO — CID 155155678

IUPAC(4S)-4-ethylazepan-4-ol
SMILESCC[C@]1(O)CCCNCC1
InChIInChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyOZBPJXGMOOMNGE-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds1

About (4S)-4-ethylazepan-4-ol

(4S)-4-ethylazepan-4-ol (PubChem CID 155155678) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-ethylazepan-4-ol.

Molecular Properties

Compound Name(4S)-4-ethylazepan-4-ol
PubChem CID155155678
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-ethylazepan-4-ol
SMILESCC[C@]1(O)CCCNCC1
InChIInChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyOZBPJXGMOOMNGE-QMMMGPOBSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethylazepan-4-ol?
The IUPAC name of (4S)-4-ethylazepan-4-ol (CID 155155678) is (4S)-4-ethylazepan-4-ol.
What is the SMILES notation for (4S)-4-ethylazepan-4-ol?
The canonical SMILES for (4S)-4-ethylazepan-4-ol is CC[C@]1(O)CCCNCC1.
What is the InChIKey of (4S)-4-ethylazepan-4-ol?
The InChIKey is OZBPJXGMOOMNGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(10)4-3-6-9-7-5-8/h9-10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-ethylazepan-4-ol?
(4S)-4-ethylazepan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethylazepan-4-ol is sourced from PubChem (CID 155155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).