(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol

C11H20O — CID 10374826

IUPAC(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@](C)(O)/C=C/C(C)C
InChIInChI=1S/C11H20O/c1-6-10(4)11(5,12)8-7-9(2)3/h6-10,12H,1H2,2-5H3/b8-7+/t10-,11+/m0/s1
InChIKeyCKZYZDUBIWAONY-IAYMVZNDSA-N
MW168.28 g/mol
LogP2.77
Rot. Bonds4

About (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol

(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol (PubChem CID 10374826) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol.

Molecular Properties

Compound Name(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol
PubChem CID10374826
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@](C)(O)/C=C/C(C)C
InChIInChI=1S/C11H20O/c1-6-10(4)11(5,12)8-7-9(2)3/h6-10,12H,1H2,2-5H3/b8-7+/t10-,11+/m0/s1
InChIKeyCKZYZDUBIWAONY-IAYMVZNDSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.77
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 (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol?
The IUPAC name of (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol (CID 10374826) is (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol.
What is the SMILES notation for (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol?
The canonical SMILES for (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol is C=C[C@H](C)[C@](C)(O)/C=C/C(C)C.
What is the InChIKey of (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol?
The InChIKey is CKZYZDUBIWAONY-IAYMVZNDSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10(4)11(5,12)8-7-9(2)3/h6-10,12H,1H2,2-5H3/b8-7+/t10-,11+/m0/s1.
What are the key properties of (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol?
(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol is sourced from PubChem (CID 10374826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).