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

C10H16O — CID 101297630

IUPAC(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol
SMILESC=C[C@@H](/C=C(\C)CO)C(=C)C
InChIInChI=1S/C10H16O/c1-5-10(8(2)3)6-9(4)7-11/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+/t10-/m0/s1
InChIKeyNHJXCMQPMLBAMK-ZKXNXJMVSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds4

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

(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol (PubChem CID 101297630) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol
PubChem CID101297630
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol
SMILESC=C[C@@H](/C=C(\C)CO)C(=C)C
InChIInChI=1S/C10H16O/c1-5-10(8(2)3)6-9(4)7-11/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+/t10-/m0/s1
InChIKeyNHJXCMQPMLBAMK-ZKXNXJMVSA-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 (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol?
The IUPAC name of (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol (CID 101297630) is (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol.
What is the SMILES notation for (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol?
The canonical SMILES for (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol is C=C[C@@H](/C=C(\C)CO)C(=C)C.
What is the InChIKey of (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol?
The InChIKey is NHJXCMQPMLBAMK-ZKXNXJMVSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(8(2)3)6-9(4)7-11/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+/t10-/m0/s1.
What are the key properties of (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol?
(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-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 (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-ol is sourced from PubChem (CID 101297630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).