ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

C19H30 — CID 143204941

IUPACethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C)c1ccccc1.CC.CC
InChIInChI=1S/C15H18.2C2H6/c1-4-9-14(10-5-2)13(3)15-11-7-6-8-12-15;2*1-2/h4-13H,1H2,2-3H3;2*1-2H3/b10-5-,14-9+;;
InChIKeyHKVIMWHPXCMQSO-SMSBJCJJSA-N
MW258.45 g/mol
LogP6.53
Rot. Bonds4

About ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (PubChem CID 143204941) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
PubChem CID143204941
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Nameethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C)c1ccccc1.CC.CC
InChIInChI=1S/C15H18.2C2H6/c1-4-9-14(10-5-2)13(3)15-11-7-6-8-12-15;2*1-2/h4-13H,1H2,2-3H3;2*1-2H3/b10-5-,14-9+;;
InChIKeyHKVIMWHPXCMQSO-SMSBJCJJSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The IUPAC name of ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (CID 143204941) is ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.
What is the SMILES notation for ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The canonical SMILES for ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is C=C/C=C(\C=C/C)C(C)c1ccccc1.CC.CC.
What is the InChIKey of ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The InChIKey is HKVIMWHPXCMQSO-SMSBJCJJSA-N. The full InChI is InChI=1S/C15H18.2C2H6/c1-4-9-14(10-5-2)13(3)15-11-7-6-8-12-15;2*1-2/h4-13H,1H2,2-3H3;2*1-2H3/b10-5-,14-9+;;.
What are the key properties of ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene has a molecular weight of 258.45 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is sourced from PubChem (CID 143204941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).