(E)-3-methyldec-6-en-3-ol

C11H22O — CID 20571537

IUPAC(E)-3-methyldec-6-en-3-ol
SMILESCCC/C=C/CCC(C)(O)CC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-8,12H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyZRYDUYLDASZMHR-BQYQJAHWSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds6

About (E)-3-methyldec-6-en-3-ol

(E)-3-methyldec-6-en-3-ol (PubChem CID 20571537) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-3-methyldec-6-en-3-ol.

Molecular Properties

Compound Name(E)-3-methyldec-6-en-3-ol
PubChem CID20571537
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-3-methyldec-6-en-3-ol
SMILESCCC/C=C/CCC(C)(O)CC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-8,12H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyZRYDUYLDASZMHR-BQYQJAHWSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
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

sodium;hydride;3-methylhexan-3-ol
CID 175384887
3-methyldeca-4,6-dien-3-ol
CID 54203983
(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
CID 22760095
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
acetaldehyde;3-methylpentan-3-ol
CID 174322693
hydroxy(oxo)titanium;3-methylheptan-3-ol
CID 87558303
sodium;hydride;3-methylheptan-3-ol
CID 175497399
3,5,5-trimethyloctan-3-ol
CID 123781250
3,7,11-trimethylhexadeca-6,10-dien-3-ol
CID 72571502
5-(trifluoromethyl)undec-7-en-5-ol
CID 71335180

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyldec-6-en-3-ol?
The IUPAC name of (E)-3-methyldec-6-en-3-ol (CID 20571537) is (E)-3-methyldec-6-en-3-ol.
What is the SMILES notation for (E)-3-methyldec-6-en-3-ol?
The canonical SMILES for (E)-3-methyldec-6-en-3-ol is CCC/C=C/CCC(C)(O)CC.
What is the InChIKey of (E)-3-methyldec-6-en-3-ol?
The InChIKey is ZRYDUYLDASZMHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-8,12H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of (E)-3-methyldec-6-en-3-ol?
(E)-3-methyldec-6-en-3-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyldec-6-en-3-ol is sourced from PubChem (CID 20571537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).