4-ethyl-2,2,4-trimethylhept-6-en-1-ol

C12H24O — CID 91612819

IUPAC4-ethyl-2,2,4-trimethylhept-6-en-1-ol
SMILESC=CCC(C)(CC)CC(C)(C)CO
InChIInChI=1S/C12H24O/c1-6-8-12(5,7-2)9-11(3,4)10-13/h6,13H,1,7-10H2,2-5H3
InChIKeyBLONVTPPFKPYTO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds6

About 4-ethyl-2,2,4-trimethylhept-6-en-1-ol

4-ethyl-2,2,4-trimethylhept-6-en-1-ol (PubChem CID 91612819) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-ethyl-2,2,4-trimethylhept-6-en-1-ol.

Molecular Properties

Compound Name4-ethyl-2,2,4-trimethylhept-6-en-1-ol
PubChem CID91612819
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-ethyl-2,2,4-trimethylhept-6-en-1-ol
SMILESC=CCC(C)(CC)CC(C)(C)CO
InChIInChI=1S/C12H24O/c1-6-8-12(5,7-2)9-11(3,4)10-13/h6,13H,1,7-10H2,2-5H3
InChIKeyBLONVTPPFKPYTO-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol
CID 123533922
4-ethyl-4,7,7-trimethylnon-1-ene
CID 123137671
4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
4-methyl-4-propylhept-1-ene
CID 139926982
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
2-amino-2-methylpent-4-en-1-ol
CID 55291318
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
2-(1-hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,4-trimethylhept-6-en-1-ol?
The IUPAC name of 4-ethyl-2,2,4-trimethylhept-6-en-1-ol (CID 91612819) is 4-ethyl-2,2,4-trimethylhept-6-en-1-ol.
What is the SMILES notation for 4-ethyl-2,2,4-trimethylhept-6-en-1-ol?
The canonical SMILES for 4-ethyl-2,2,4-trimethylhept-6-en-1-ol is C=CCC(C)(CC)CC(C)(C)CO.
What is the InChIKey of 4-ethyl-2,2,4-trimethylhept-6-en-1-ol?
The InChIKey is BLONVTPPFKPYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-12(5,7-2)9-11(3,4)10-13/h6,13H,1,7-10H2,2-5H3.
What are the key properties of 4-ethyl-2,2,4-trimethylhept-6-en-1-ol?
4-ethyl-2,2,4-trimethylhept-6-en-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,4-trimethylhept-6-en-1-ol is sourced from PubChem (CID 91612819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).