(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol

C10H16O — CID 162974269

IUPAC(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
SMILESC=C[C@H](C(=C)C)[C@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-6-9(7(2)3)10(11)8(4)5/h6,9-11H,1-2,4H2,3,5H3/t9-,10-/m1/s1
InChIKeyYAATZFSMWSSRHJ-NXEZZACHSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds4

About (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol

(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol (PubChem CID 162974269) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
PubChem CID162974269
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
SMILESC=C[C@H](C(=C)C)[C@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-6-9(7(2)3)10(11)8(4)5/h6,9-11H,1-2,4H2,3,5H3/t9-,10-/m1/s1
InChIKeyYAATZFSMWSSRHJ-NXEZZACHSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.30
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)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol?
The IUPAC name of (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol (CID 162974269) is (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol.
What is the SMILES notation for (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol?
The canonical SMILES for (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol is C=C[C@H](C(=C)C)[C@H](O)C(=C)C.
What is the InChIKey of (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol?
The InChIKey is YAATZFSMWSSRHJ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c1-6-9(7(2)3)10(11)8(4)5/h6,9-11H,1-2,4H2,3,5H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol?
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol is sourced from PubChem (CID 162974269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).