(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol

C11H20O — CID 19031169

IUPAC(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol
SMILESCCC/C=C/C(C)/C(C)=C/CO
InChIInChI=1S/C11H20O/c1-4-5-6-7-10(2)11(3)8-9-12/h6-8,10,12H,4-5,9H2,1-3H3/b7-6+,11-8+
InChIKeyZBDGULPRNZYQHG-HRCSPUOPSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds5

About (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol

(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol (PubChem CID 19031169) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol
PubChem CID19031169
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol
SMILESCCC/C=C/C(C)/C(C)=C/CO
InChIInChI=1S/C11H20O/c1-4-5-6-7-10(2)11(3)8-9-12/h6-8,10,12H,4-5,9H2,1-3H3/b7-6+,11-8+
InChIKeyZBDGULPRNZYQHG-HRCSPUOPSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
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 175484589
5,6,9-trimethyldeca-3,6-diene
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(E)-2,3-dimethyloct-4-ene
CID 173368392
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
4-methylnon-5-en-2-ol
CID 90726696
(E)-2-methyl-1-phenylhept-3-en-1-one
CID 102481541
3-methylhept-3-en-2-amine
CID 130574470
(E,2S)-2-methylhept-3-enal
CID 124565519
3-methylocta-1,4-diene
CID 123442447
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
(E)-3-methylhept-3-en-2-amine
CID 163910373
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol (CID 19031169) is (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol is CCC/C=C/C(C)/C(C)=C/CO.
What is the InChIKey of (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol?
The InChIKey is ZBDGULPRNZYQHG-HRCSPUOPSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-10(2)11(3)8-9-12/h6-8,10,12H,4-5,9H2,1-3H3/b7-6+,11-8+.
What are the key properties of (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol?
(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3,4-dimethylnona-2,5-dien-1-ol is sourced from PubChem (CID 19031169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).