2,6-dimethylocta-1,6,7-trien-4-ol

C10H16O — CID 130125712

IUPAC2,6-dimethylocta-1,6,7-trien-4-ol
SMILESC=C=C(C)CC(O)CC(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h10-11H,1-2,6-7H2,3-4H3
InChIKeyCGDIGOJGIRXGRL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.43
Rot. Bonds4

About 2,6-dimethylocta-1,6,7-trien-4-ol

2,6-dimethylocta-1,6,7-trien-4-ol (PubChem CID 130125712) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,6-dimethylocta-1,6,7-trien-4-ol.

Molecular Properties

Compound Name2,6-dimethylocta-1,6,7-trien-4-ol
PubChem CID130125712
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,6-dimethylocta-1,6,7-trien-4-ol
SMILESC=C=C(C)CC(O)CC(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h10-11H,1-2,6-7H2,3-4H3
InChIKeyCGDIGOJGIRXGRL-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.43
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

7-Octen-4-OL
CID 40923
1-Octen-4-ol
CID 142471
4-Penten-2-ol, 4-methyl-
CID 102730
5-Methyl-5-hexen-2-ol
CID 142714
7-methyl-6E-nonen-3-ol
CID 5283283
5-Methyl-5-hexen-3-ol
CID 144263
2,5-Dimethyl-1,5-hexadien-3-ol
CID 551242
Agn-PC-0052HW
CID 11240490
2-Methyl-1-hepten-3-ol
CID 518678
3-Decen-1-ol, 3-methyl-, (Z)-
CID 129650698
(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-ol
CID 118705857
2,6-Dimethyl-1,6-heptadien-4-ol
CID 141505

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,6,7-trien-4-ol?
The IUPAC name of 2,6-dimethylocta-1,6,7-trien-4-ol (CID 130125712) is 2,6-dimethylocta-1,6,7-trien-4-ol.
What is the SMILES notation for 2,6-dimethylocta-1,6,7-trien-4-ol?
The canonical SMILES for 2,6-dimethylocta-1,6,7-trien-4-ol is C=C=C(C)CC(O)CC(=C)C.
What is the InChIKey of 2,6-dimethylocta-1,6,7-trien-4-ol?
The InChIKey is CGDIGOJGIRXGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h10-11H,1-2,6-7H2,3-4H3.
What are the key properties of 2,6-dimethylocta-1,6,7-trien-4-ol?
2,6-dimethylocta-1,6,7-trien-4-ol has a molecular weight of 152.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-1,6,7-trien-4-ol is sourced from PubChem (CID 130125712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).