2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane

C40H73P — CID 167171548

IUPAC2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane
SMILESCCCCCC(C)C(CC1CCC1)C1CC1(C)CCCCC(C)C1CC2C(CC(C)CCC(C)CC(C)C3CC3)P12
InChIInChI=1S/C40H73P/c1-8-9-10-14-30(4)35(25-33-16-13-17-33)36-27-40(36,7)22-12-11-15-31(5)37-26-39-38(41(37)39)24-29(3)19-18-28(2)23-32(6)34-20-21-34/h28-39H,8-27H2,1-7H3
InChIKeyZDZVIKGVFBNRDH-UHFFFAOYSA-N
MW585.00 g/mol
LogP13.12
Rot. Bonds22

About 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane

2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane (PubChem CID 167171548) has the molecular formula C40H73P and a molecular weight of 585.00 g/mol. Its IUPAC name is 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane
PubChem CID167171548
Molecular FormulaC40H73P
Molecular Weight585.00 g/mol
Exact Mass584.54
IUPAC Name2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane
SMILESCCCCCC(C)C(CC1CCC1)C1CC1(C)CCCCC(C)C1CC2C(CC(C)CCC(C)CC(C)C3CC3)P12
InChIInChI=1S/C40H73P/c1-8-9-10-14-30(4)35(25-33-16-13-17-33)36-27-40(36,7)22-12-11-15-31(5)37-26-39-38(41(37)39)24-29(3)19-18-28(2)23-32(6)34-20-21-34/h28-39H,8-27H2,1-7H3
InChIKeyZDZVIKGVFBNRDH-UHFFFAOYSA-N
XLogP13.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.00
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
CID 123964295
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
2-methyltridecylcyclopropane
CID 123424034
octan-2-ylcyclopropane
CID 18968125
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
2,3,6,8,11-pentamethyltetradecylcyclobutane
CID 123722303
1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
CID 123760958
(10-methyl-2,4-dipropylhexadecyl)cyclobutane
CID 123528553

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane?
The IUPAC name of 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane (CID 167171548) is 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane.
What is the SMILES notation for 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane?
The canonical SMILES for 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane is CCCCCC(C)C(CC1CCC1)C1CC1(C)CCCCC(C)C1CC2C(CC(C)CCC(C)CC(C)C3CC3)P12.
What is the InChIKey of 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane?
The InChIKey is ZDZVIKGVFBNRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H73P/c1-8-9-10-14-30(4)35(25-33-16-13-17-33)36-27-40(36,7)22-12-11-15-31(5)37-26-39-38(41(37)39)24-29(3)19-18-28(2)23-32(6)34-20-21-34/h28-39H,8-27H2,1-7H3.
What are the key properties of 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane?
2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane has a molecular weight of 585.00 g/mol, XLogP of 13.12, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(1-cyclobutyl-3-methyloctan-2-yl)-1-methylcyclopropyl]hexan-2-yl]-5-(7-cyclopropyl-2,5-dimethyloctyl)-1-phosphabicyclo[2.1.0]pentane is sourced from PubChem (CID 167171548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).