1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol

C20H28O — CID 160961058

IUPAC1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CCC=C(C)C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H18O.C10H10/c1-5-10(4,11)8-6-7-9(2)3;1-3-9-7-5-6-8-10(9)4-2/h5,7,11H,1,6,8H2,2-4H3;3-8H,1-2H2
InChIKeySXAAHVHSNLALRC-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.64
Rot. Bonds6

About 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol

1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol (PubChem CID 160961058) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
PubChem CID160961058
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CCC=C(C)C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H18O.C10H10/c1-5-10(4,11)8-6-7-9(2)3;1-3-9-7-5-6-8-10(9)4-2/h5,7,11H,1,6,8H2,2-4H3;3-8H,1-2H2
InChIKeySXAAHVHSNLALRC-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.64
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 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol?
The IUPAC name of 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol (CID 160961058) is 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol is C=CC(C)(O)CCC=C(C)C.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol?
The InChIKey is SXAAHVHSNLALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C10H10/c1-5-10(4,11)8-6-7-9(2)3;1-3-9-7-5-6-8-10(9)4-2/h5,7,11H,1,6,8H2,2-4H3;3-8H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol?
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol has a molecular weight of 284.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 160961058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).