[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane

C32H59OP — CID 155107855

IUPAC[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane
SMILESC=C(CCCCCCC/C=C\C/C=C\CCCCC)CCC(CCP(C)(=O)CCCC)C1CC1
InChIInChI=1S/C32H59OP/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(3)23-24-32(31-25-26-31)27-29-34(4,33)28-8-6-2/h11-12,14-15,31-32H,3,5-10,13,16-29H2,1-2,4H3/b12-11-,15-14-
InChIKeyYHXQVHVHHAKPLH-HDXUUTQWSA-N
MW490.80 g/mol
LogP11.35
Rot. Bonds24

About [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane

[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane (PubChem CID 155107855) has the molecular formula C32H59OP and a molecular weight of 490.80 g/mol. Its IUPAC name is [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane.

Molecular Properties

Compound Name[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane
PubChem CID155107855
Molecular FormulaC32H59OP
Molecular Weight490.80 g/mol
Exact Mass490.43
IUPAC Name[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane
SMILESC=C(CCCCCCC/C=C\C/C=C\CCCCC)CCC(CCP(C)(=O)CCCC)C1CC1
InChIInChI=1S/C32H59OP/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(3)23-24-32(31-25-26-31)27-29-34(4,33)28-8-6-2/h11-12,14-15,31-32H,3,5-10,13,16-29H2,1-2,4H3/b12-11-,15-14-
InChIKeyYHXQVHVHHAKPLH-HDXUUTQWSA-N
XLogP11.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane?
The IUPAC name of [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane (CID 155107855) is [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane.
What is the SMILES notation for [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane?
The canonical SMILES for [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane is C=C(CCCCCCC/C=C\C/C=C\CCCCC)CCC(CCP(C)(=O)CCCC)C1CC1.
What is the InChIKey of [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane?
The InChIKey is YHXQVHVHHAKPLH-HDXUUTQWSA-N. The full InChI is InChI=1S/C32H59OP/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(3)23-24-32(31-25-26-31)27-29-34(4,33)28-8-6-2/h11-12,14-15,31-32H,3,5-10,13,16-29H2,1-2,4H3/b12-11-,15-14-.
What are the key properties of [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane?
[(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane has a molecular weight of 490.80 g/mol, XLogP of 11.35, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(14Z,17Z)-1-[butyl(methyl)phosphoryl]-6-methylidenetricosa-14,17-dien-3-yl]cyclopropane is sourced from PubChem (CID 155107855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).