9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene

C32H46 — CID 144868037

IUPAC9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene
SMILESC/C=C\CC1(/C(C=C(C)C)=C/C)c2ccccc2-c2ccccc21.C=C(C)C.CC.CC
InChIInChI=1S/C24H26.C4H8.2C2H6/c1-5-7-16-24(19(6-2)17-18(3)4)22-14-10-8-12-20(22)21-13-9-11-15-23(21)24;1-4(2)3;2*1-2/h5-15,17H,16H2,1-4H3;1H2,2-3H3;2*1-2H3/b7-5-,19-6+;;;
InChIKeyIQUZXAWLEWVJII-WUZJCOLMSA-N
MW430.72 g/mol
LogP10.47
Rot. Bonds4

About 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene

9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene (PubChem CID 144868037) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene.

Molecular Properties

Compound Name9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene
PubChem CID144868037
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene
SMILESC/C=C\CC1(/C(C=C(C)C)=C/C)c2ccccc2-c2ccccc21.C=C(C)C.CC.CC
InChIInChI=1S/C24H26.C4H8.2C2H6/c1-5-7-16-24(19(6-2)17-18(3)4)22-14-10-8-12-20(22)21-13-9-11-15-23(21)24;1-4(2)3;2*1-2/h5-15,17H,16H2,1-4H3;1H2,2-3H3;2*1-2H3/b7-5-,19-6+;;;
InChIKeyIQUZXAWLEWVJII-WUZJCOLMSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene?
The IUPAC name of 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene (CID 144868037) is 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene.
What is the SMILES notation for 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene?
The canonical SMILES for 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene is C/C=C\CC1(/C(C=C(C)C)=C/C)c2ccccc2-c2ccccc21.C=C(C)C.CC.CC.
What is the InChIKey of 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene?
The InChIKey is IQUZXAWLEWVJII-WUZJCOLMSA-N. The full InChI is InChI=1S/C24H26.C4H8.2C2H6/c1-5-7-16-24(19(6-2)17-18(3)4)22-14-10-8-12-20(22)21-13-9-11-15-23(21)24;1-4(2)3;2*1-2/h5-15,17H,16H2,1-4H3;1H2,2-3H3;2*1-2H3/b7-5-,19-6+;;;.
What are the key properties of 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene?
9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene has a molecular weight of 430.72 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-but-2-enyl]-9-[(2E)-5-methylhexa-2,4-dien-3-yl]fluorene;ethane;2-methylprop-1-ene is sourced from PubChem (CID 144868037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).