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

C9H18O — CID 13208265

IUPAC2,6-dimethylhept-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyZYIDUZDEBVFLGO-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds4

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

2,6-dimethylhept-1-en-3-ol (PubChem CID 13208265) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,6-dimethylhept-1-en-3-ol.

Molecular Properties

Compound Name2,6-dimethylhept-1-en-3-ol
PubChem CID13208265
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,6-dimethylhept-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyZYIDUZDEBVFLGO-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2,6,9,10,10-pentamethyl-9-propan-2-ylundec-1-en-3-ol
CID 144530855
7-chloro-2-methyl-6-[1-(2-methylpropoxy)ethoxy]hept-1-en-3-ol
CID 88751176
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
2-methylnon-1-ene-3,7-diol
CID 140997811
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
2,3,7-trimethyloct-1-ene
CID 123245102
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
CID 24974006
hepta-1,6-diene;2-methylhepta-1,6-dien-3-ol
CID 161073978

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhept-1-en-3-ol?
The IUPAC name of 2,6-dimethylhept-1-en-3-ol (CID 13208265) is 2,6-dimethylhept-1-en-3-ol.
What is the SMILES notation for 2,6-dimethylhept-1-en-3-ol?
The canonical SMILES for 2,6-dimethylhept-1-en-3-ol is C=C(C)C(O)CCC(C)C.
What is the InChIKey of 2,6-dimethylhept-1-en-3-ol?
The InChIKey is ZYIDUZDEBVFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7,9-10H,3,5-6H2,1-2,4H3.
What are the key properties of 2,6-dimethylhept-1-en-3-ol?
2,6-dimethylhept-1-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhept-1-en-3-ol is sourced from PubChem (CID 13208265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).