1-(1-ethoxycycloheptyl)butan-1-ol

C13H26O2 — CID 116756084

IUPAC1-(1-ethoxycycloheptyl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCCCCC1
InChIInChI=1S/C13H26O2/c1-3-9-12(14)13(15-4-2)10-7-5-6-8-11-13/h12,14H,3-11H2,1-2H3
InChIKeyOBJBJXTVXPDRLY-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)butan-1-ol

1-(1-ethoxycycloheptyl)butan-1-ol (PubChem CID 116756084) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)butan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)butan-1-ol
PubChem CID116756084
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(1-ethoxycycloheptyl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCCCCC1
InChIInChI=1S/C13H26O2/c1-3-9-12(14)13(15-4-2)10-7-5-6-8-11-13/h12,14H,3-11H2,1-2H3
InChIKeyOBJBJXTVXPDRLY-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(1-ethoxycyclohexyl)-3-methylsulfonylpropan-1-ol
CID 116753769
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
1-(1-ethoxycycloheptyl)but-3-en-1-ol
CID 116756161
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
CID 116770638
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)butan-1-ol?
The IUPAC name of 1-(1-ethoxycycloheptyl)butan-1-ol (CID 116756084) is 1-(1-ethoxycycloheptyl)butan-1-ol.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)butan-1-ol?
The canonical SMILES for 1-(1-ethoxycycloheptyl)butan-1-ol is CCCC(O)C1(OCC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)butan-1-ol?
The InChIKey is OBJBJXTVXPDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-9-12(14)13(15-4-2)10-7-5-6-8-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)butan-1-ol?
1-(1-ethoxycycloheptyl)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)butan-1-ol is sourced from PubChem (CID 116756084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).