(E)-4,6-dimethyloct-3-en-2-ol

C10H20O — CID 87272848

IUPAC(E)-4,6-dimethyloct-3-en-2-ol
SMILESCCC(C)C/C(C)=C/C(C)O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyQUIRXTUSFUDWHF-VQHVLOKHSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds4

About (E)-4,6-dimethyloct-3-en-2-ol

(E)-4,6-dimethyloct-3-en-2-ol (PubChem CID 87272848) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-4,6-dimethyloct-3-en-2-ol.

Molecular Properties

Compound Name(E)-4,6-dimethyloct-3-en-2-ol
PubChem CID87272848
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-4,6-dimethyloct-3-en-2-ol
SMILESCCC(C)C/C(C)=C/C(C)O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyQUIRXTUSFUDWHF-VQHVLOKHSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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

4,6-dimethyloct-3-en-2-ol
CID 91470833
5-ethoxy-4-methylpent-3-en-2-ol
CID 104866902
4-methyltetradec-3-en-2-ol
CID 71428210
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
(E)-2,5,8-trimethyldec-5-en-3-ol
CID 143524733
N-tert-butyl-4,6-dimethyloct-3-en-1-amine
CID 79607887
(Z)-4,7-dimethylnon-4-ene
CID 143531390
3-ethyl-5-methylhept-2-ene
CID 90962982
(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
CID 24773196
N-(4,6-dimethyloct-3-enyl)cyclopropanamine
CID 79598638
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
CID 79607917
(Z,5Z)-5-(1-fluoropropan-2-ylidene)-3,7-dimethylnon-3-ene
CID 143728594

Frequently Asked Questions

What is the IUPAC name of (E)-4,6-dimethyloct-3-en-2-ol?
The IUPAC name of (E)-4,6-dimethyloct-3-en-2-ol (CID 87272848) is (E)-4,6-dimethyloct-3-en-2-ol.
What is the SMILES notation for (E)-4,6-dimethyloct-3-en-2-ol?
The canonical SMILES for (E)-4,6-dimethyloct-3-en-2-ol is CCC(C)C/C(C)=C/C(C)O.
What is the InChIKey of (E)-4,6-dimethyloct-3-en-2-ol?
The InChIKey is QUIRXTUSFUDWHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-4,6-dimethyloct-3-en-2-ol?
(E)-4,6-dimethyloct-3-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,6-dimethyloct-3-en-2-ol is sourced from PubChem (CID 87272848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).