(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol

C10H18O — CID 11105579

IUPAC(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol
SMILESC=C(C)/C=C/C[C@H](C)CCO
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,10-11H,1,6-8H2,2-3H3/b5-4+/t10-/m0/s1
InChIKeyJKTVYCMZESYUII-YEZKRMTDSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds5

About (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol

(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol (PubChem CID 11105579) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol.

Molecular Properties

Compound Name(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol
PubChem CID11105579
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol
SMILESC=C(C)/C=C/C[C@H](C)CCO
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,10-11H,1,6-8H2,2-3H3/b5-4+/t10-/m0/s1
InChIKeyJKTVYCMZESYUII-YEZKRMTDSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
(-)-Lavandulol
CID 5464156
Lavandulol, (+-)-
CID 94060
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
2,6-Dimethyl-5-hepten-1-ol
CID 240230
(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
CID 6364638
2,6,10-Trimethylundeca-5,9-dienol
CID 91116
5-Octen-1-ol, 6-ethyl-3-methyl-
CID 117305
3,7-Dimethylnon-6-en-1-ol
CID 544330
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187

Frequently Asked Questions

What is the IUPAC name of (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol?
The IUPAC name of (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol (CID 11105579) is (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol.
What is the SMILES notation for (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol?
The canonical SMILES for (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol is C=C(C)/C=C/C[C@H](C)CCO.
What is the InChIKey of (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol?
The InChIKey is JKTVYCMZESYUII-YEZKRMTDSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,10-11H,1,6-8H2,2-3H3/b5-4+/t10-/m0/s1.
What are the key properties of (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol?
(3S,5E)-3,7-dimethylocta-5,7-dien-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5E)-3,7-dimethylocta-5,7-dien-1-ol is sourced from PubChem (CID 11105579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).