(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol

C11H18O — CID 132557737

IUPAC(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
SMILESC=CC[C@H](O)/C=C(\C)C/C=C/C
InChIInChI=1S/C11H18O/c1-4-6-8-10(3)9-11(12)7-5-2/h4-6,9,11-12H,2,7-8H2,1,3H3/b6-4+,10-9+/t11-/m0/s1
InChIKeyHMNGXJDGNYDZPY-IXTCMTRWSA-N
MW166.26 g/mol
LogP2.84
Rot. Bonds5

About (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol

(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol (PubChem CID 132557737) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol.

Molecular Properties

Compound Name(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
PubChem CID132557737
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
SMILESC=CC[C@H](O)/C=C(\C)C/C=C/C
InChIInChI=1S/C11H18O/c1-4-6-8-10(3)9-11(12)7-5-2/h4-6,9,11-12H,2,7-8H2,1,3H3/b6-4+,10-9+/t11-/m0/s1
InChIKeyHMNGXJDGNYDZPY-IXTCMTRWSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.84
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

(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
5-methylnona-1,4,7-triene
CID 59970949
(2Z,5Z)-8-fluoro-5,7-dimethylocta-2,5-diene
CID 143508838
6-methyldeca-1,5,8-triene
CID 150645087
3-methylhepta-2,5-dien-1-ol
CID 167443292
(4E)-2-methylhexa-1,4-diene
CID 5367524
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
5-propan-2-ylidenenon-2-ene
CID 151139066
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
CID 20695244
(5E)-nona-1,5-dien-4-ol
CID 10931514
nona-1,7-dien-5-ol
CID 57009885
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395

Frequently Asked Questions

What is the IUPAC name of (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol?
The IUPAC name of (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol (CID 132557737) is (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol.
What is the SMILES notation for (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol?
The canonical SMILES for (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol is C=CC[C@H](O)/C=C(\C)C/C=C/C.
What is the InChIKey of (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol?
The InChIKey is HMNGXJDGNYDZPY-IXTCMTRWSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-8-10(3)9-11(12)7-5-2/h4-6,9,11-12H,2,7-8H2,1,3H3/b6-4+,10-9+/t11-/m0/s1.
What are the key properties of (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol?
(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol has a molecular weight of 166.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol is sourced from PubChem (CID 132557737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).