1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene

C18H29O4P — CID 15525921

IUPAC1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene
SMILESCCCCC/C=C(/c1ccc(OC)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C18H29O4P/c1-5-8-9-10-11-18(23(19,21-6-2)22-7-3)16-12-14-17(20-4)15-13-16/h11-15H,5-10H2,1-4H3/b18-11-
InChIKeyMPZPRGPXBCXBLH-WQRHYEAKSA-N
MW340.40 g/mol
LogP5.88
Rot. Bonds11

About 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene

1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene (PubChem CID 15525921) has the molecular formula C18H29O4P and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene
PubChem CID15525921
Molecular FormulaC18H29O4P
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene
SMILESCCCCC/C=C(/c1ccc(OC)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C18H29O4P/c1-5-8-9-10-11-18(23(19,21-6-2)22-7-3)16-12-14-17(20-4)15-13-16/h11-15H,5-10H2,1-4H3/b18-11-
InChIKeyMPZPRGPXBCXBLH-WQRHYEAKSA-N
XLogP5.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methylbenzene
CID 11771682
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389
(2E)-2-(diethoxyphosphorylmethylidene)-1-(4-methoxyphenyl)hexan-1-one
CID 10937121
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 102323559
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
4-methoxy-N-pentylbenzamide
CID 3113360
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
(4-methoxyphenyl) 4-oct-2-enoyloxybenzoate
CID 54408453
4-methoxy-N-pentanoylbenzamide
CID 175364766
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene (CID 15525921) is 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene is CCCCC/C=C(/c1ccc(OC)cc1)P(=O)(OCC)OCC.
What is the InChIKey of 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene?
The InChIKey is MPZPRGPXBCXBLH-WQRHYEAKSA-N. The full InChI is InChI=1S/C18H29O4P/c1-5-8-9-10-11-18(23(19,21-6-2)22-7-3)16-12-14-17(20-4)15-13-16/h11-15H,5-10H2,1-4H3/b18-11-.
What are the key properties of 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene?
1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene has a molecular weight of 340.40 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 15525921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).