(6E)-2,3-dimethylocta-1,6-dien-3-ol

C10H18O — CID 162690489

IUPAC(6E)-2,3-dimethylocta-1,6-dien-3-ol
SMILESC=C(C)C(C)(O)CC/C=C/C
InChIInChI=1S/C10H18O/c1-5-6-7-8-10(4,11)9(2)3/h5-6,11H,2,7-8H2,1,3-4H3/b6-5+
InChIKeyPBLXCRASUOPJJH-AATRIKPKSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds4

About (6E)-2,3-dimethylocta-1,6-dien-3-ol

(6E)-2,3-dimethylocta-1,6-dien-3-ol (PubChem CID 162690489) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (6E)-2,3-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-2,3-dimethylocta-1,6-dien-3-ol
PubChem CID162690489
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(6E)-2,3-dimethylocta-1,6-dien-3-ol
SMILESC=C(C)C(C)(O)CC/C=C/C
InChIInChI=1S/C10H18O/c1-5-6-7-8-10(4,11)9(2)3/h5-6,11H,2,7-8H2,1,3-4H3/b6-5+
InChIKeyPBLXCRASUOPJJH-AATRIKPKSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.67
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

2,3-dimethyloct-6-ene-2,3-diol
CID 140614834
2-methyldec-8-en-2-ol
CID 173164582
(7E)-2-methylnona-1,7-diene
CID 23197153
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
3-ethylnon-7-en-3-ol
CID 150588802
nona-1,7-dien-2-ol
CID 172729481
3,4,4-trimethylnon-7-en-2-one
CID 90754552
(E)-2,2-dimethyloct-6-enenitrile
CID 90220674
(E)-2,2-dimethylhept-5-en-1-amine
CID 55289620
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
6,8-dimethylidenetridec-2-ene
CID 123762640

Frequently Asked Questions

What is the IUPAC name of (6E)-2,3-dimethylocta-1,6-dien-3-ol?
The IUPAC name of (6E)-2,3-dimethylocta-1,6-dien-3-ol (CID 162690489) is (6E)-2,3-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for (6E)-2,3-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for (6E)-2,3-dimethylocta-1,6-dien-3-ol is C=C(C)C(C)(O)CC/C=C/C.
What is the InChIKey of (6E)-2,3-dimethylocta-1,6-dien-3-ol?
The InChIKey is PBLXCRASUOPJJH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-7-8-10(4,11)9(2)3/h5-6,11H,2,7-8H2,1,3-4H3/b6-5+.
What are the key properties of (6E)-2,3-dimethylocta-1,6-dien-3-ol?
(6E)-2,3-dimethylocta-1,6-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,3-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 162690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).