4-ethyl-1-propan-2-ylcycloheptan-1-ol

C12H24O — CID 65085832

IUPAC4-ethyl-1-propan-2-ylcycloheptan-1-ol
SMILESCCC1CCCC(O)(C(C)C)CC1
InChIInChI=1S/C12H24O/c1-4-11-6-5-8-12(13,9-7-11)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDCBXGCADOLNJTR-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds2

About 4-ethyl-1-propan-2-ylcycloheptan-1-ol

4-ethyl-1-propan-2-ylcycloheptan-1-ol (PubChem CID 65085832) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylcycloheptan-1-ol
PubChem CID65085832
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-ethyl-1-propan-2-ylcycloheptan-1-ol
SMILESCCC1CCCC(O)(C(C)C)CC1
InChIInChI=1S/C12H24O/c1-4-11-6-5-8-12(13,9-7-11)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDCBXGCADOLNJTR-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
2-(4-hydroxy-4-propan-2-ylcyclohexyl)acetamide
CID 58456192
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
1-but-3-ynyl-4-ethylcycloheptan-1-ol
CID 65085476
1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448421
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
4-ethyl-1-hydroperoxy-1-propan-2-ylcyclohexane
CID 22750752
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
CID 130647227
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-propan-2-ylcycloheptan-1-ol (CID 65085832) is 4-ethyl-1-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-propan-2-ylcycloheptan-1-ol is CCC1CCCC(O)(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-propan-2-ylcycloheptan-1-ol?
The InChIKey is DCBXGCADOLNJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-11-6-5-8-12(13,9-7-11)10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylcycloheptan-1-ol?
4-ethyl-1-propan-2-ylcycloheptan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65085832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).