[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane

C18H31P — CID 174148105

IUPAC[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane
SMILESC/C=C\CC1=CCC(C)(PC/C=C/CCC)CCC1
InChIInChI=1S/C18H31P/c1-4-6-8-9-16-19-18(3)14-10-12-17(13-15-18)11-7-5-2/h5,7-9,13,19H,4,6,10-12,14-16H2,1-3H3/b7-5-,9-8+
InChIKeyXUMBOXQTOKCTDR-SUHGFZJFSA-N
MW278.42 g/mol
LogP6.25
Rot. Bonds7

About [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane

[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane (PubChem CID 174148105) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane.

Molecular Properties

Compound Name[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane
PubChem CID174148105
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane
SMILESC/C=C\CC1=CCC(C)(PC/C=C/CCC)CCC1
InChIInChI=1S/C18H31P/c1-4-6-8-9-16-19-18(3)14-10-12-17(13-15-18)11-7-5-2/h5,7-9,13,19H,4,6,10-12,14-16H2,1-3H3/b7-5-,9-8+
InChIKeyXUMBOXQTOKCTDR-SUHGFZJFSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane?
The IUPAC name of [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane (CID 174148105) is [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane.
What is the SMILES notation for [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane?
The canonical SMILES for [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane is C/C=C\CC1=CCC(C)(PC/C=C/CCC)CCC1.
What is the InChIKey of [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane?
The InChIKey is XUMBOXQTOKCTDR-SUHGFZJFSA-N. The full InChI is InChI=1S/C18H31P/c1-4-6-8-9-16-19-18(3)14-10-12-17(13-15-18)11-7-5-2/h5,7-9,13,19H,4,6,10-12,14-16H2,1-3H3/b7-5-,9-8+.
What are the key properties of [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane?
[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane has a molecular weight of 278.42 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane is sourced from PubChem (CID 174148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).