2,3,6-trimethylhept-6-en-1-ol

C10H20O — CID 550792

IUPAC2,3,6-trimethylhept-6-en-1-ol
SMILESC=C(C)CCC(C)C(C)CO
InChIInChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h9-11H,1,5-7H2,2-4H3
InChIKeyZIMJLDKGWMVWFU-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds5

About 2,3,6-trimethylhept-6-en-1-ol

2,3,6-trimethylhept-6-en-1-ol (PubChem CID 550792) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3,6-trimethylhept-6-en-1-ol.

Molecular Properties

Compound Name2,3,6-trimethylhept-6-en-1-ol
PubChem CID550792
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3,6-trimethylhept-6-en-1-ol
SMILESC=C(C)CCC(C)C(C)CO
InChIInChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h9-11H,1,5-7H2,2-4H3
InChIKeyZIMJLDKGWMVWFU-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
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

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CID 543323
Rhodinol
CID 81263
Grandisol
CID 169202
p-MENTH-1-EN-9-OL
CID 86753
2,6-Dimethyl-6-hepten-1-ol
CID 169818
Isocyclogeraniol
CID 109458
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
3,5,6,6-Tetramethyl-4-methyleneheptan-2-ol
CID 21909238
p-Menth-1(7)-en-9-ol
CID 564610

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylhept-6-en-1-ol?
The IUPAC name of 2,3,6-trimethylhept-6-en-1-ol (CID 550792) is 2,3,6-trimethylhept-6-en-1-ol.
What is the SMILES notation for 2,3,6-trimethylhept-6-en-1-ol?
The canonical SMILES for 2,3,6-trimethylhept-6-en-1-ol is C=C(C)CCC(C)C(C)CO.
What is the InChIKey of 2,3,6-trimethylhept-6-en-1-ol?
The InChIKey is ZIMJLDKGWMVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 2,3,6-trimethylhept-6-en-1-ol?
2,3,6-trimethylhept-6-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylhept-6-en-1-ol is sourced from PubChem (CID 550792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).