1-cyclopropyl-3-ethylheptan-2-ol

C12H24O — CID 115804014

IUPAC1-cyclopropyl-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)CC1CC1
InChIInChI=1S/C12H24O/c1-3-5-6-11(4-2)12(13)9-10-7-8-10/h10-13H,3-9H2,1-2H3
InChIKeyHSLIBNXHNONPCH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclopropyl-3-ethylheptan-2-ol

1-cyclopropyl-3-ethylheptan-2-ol (PubChem CID 115804014) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethylheptan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-ethylheptan-2-ol
PubChem CID115804014
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-cyclopropyl-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)CC1CC1
InChIInChI=1S/C12H24O/c1-3-5-6-11(4-2)12(13)9-10-7-8-10/h10-13H,3-9H2,1-2H3
InChIKeyHSLIBNXHNONPCH-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

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CID 123906465
7-ethyl-2-methylundecan-6-ol
CID 115829942
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethylheptan-2-ol?
The IUPAC name of 1-cyclopropyl-3-ethylheptan-2-ol (CID 115804014) is 1-cyclopropyl-3-ethylheptan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-ethylheptan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-ethylheptan-2-ol is CCCCC(CC)C(O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethylheptan-2-ol?
The InChIKey is HSLIBNXHNONPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-6-11(4-2)12(13)9-10-7-8-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethylheptan-2-ol?
1-cyclopropyl-3-ethylheptan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethylheptan-2-ol is sourced from PubChem (CID 115804014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).