(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol

C11H20O — CID 10931836

IUPAC(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
SMILESC=C[C@H](O)CCC[C@H](C)/C=C\C
InChIInChI=1S/C11H20O/c1-4-7-10(3)8-6-9-11(12)5-2/h4-5,7,10-12H,2,6,8-9H2,1,3H3/b7-4-/t10-,11+/m1/s1
InChIKeyPKWSIZXRBAGLHY-PGZRXROLSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds6

About (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol

(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol (PubChem CID 10931836) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol.

Molecular Properties

Compound Name(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
PubChem CID10931836
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
SMILESC=C[C@H](O)CCC[C@H](C)/C=C\C
InChIInChI=1S/C11H20O/c1-4-7-10(3)8-6-9-11(12)5-2/h4-5,7,10-12H,2,6,8-9H2,1,3H3/b7-4-/t10-,11+/m1/s1
InChIKeyPKWSIZXRBAGLHY-PGZRXROLSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol?
The IUPAC name of (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol (CID 10931836) is (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol.
What is the SMILES notation for (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol?
The canonical SMILES for (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol is C=C[C@H](O)CCC[C@H](C)/C=C\C.
What is the InChIKey of (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol?
The InChIKey is PKWSIZXRBAGLHY-PGZRXROLSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-10(3)8-6-9-11(12)5-2/h4-5,7,10-12H,2,6,8-9H2,1,3H3/b7-4-/t10-,11+/m1/s1.
What are the key properties of (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol?
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol is sourced from PubChem (CID 10931836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).