1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane

C15H39P — CID 162271463

IUPAC1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
SMILESC.CC.CC.CCC(C)C1CCC(C)C1.P
InChIInChI=1S/C10H20.2C2H6.CH4.H3P/c1-4-9(3)10-6-5-8(2)7-10;2*1-2;;/h8-10H,4-7H2,1-3H3;2*1-2H3;1H4;1H3
InChIKeyPBIDVFDMWWUWAA-UHFFFAOYSA-N
MW250.45 g/mol
LogP6.22
Rot. Bonds2

About 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane

1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane (PubChem CID 162271463) has the molecular formula C15H39P and a molecular weight of 250.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane.

Molecular Properties

Compound Name1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
PubChem CID162271463
Molecular FormulaC15H39P
Molecular Weight250.45 g/mol
Exact Mass250.28
IUPAC Name1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
SMILESC.CC.CC.CCC(C)C1CCC(C)C1.P
InChIInChI=1S/C10H20.2C2H6.CH4.H3P/c1-4-9(3)10-6-5-8(2)7-10;2*1-2;;/h8-10H,4-7H2,1-3H3;2*1-2H3;1H4;1H3
InChIKeyPBIDVFDMWWUWAA-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-methylcyclohexane
CID 20676481
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143344345
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
butan-2-ylcyclopentane;ethane
CID 143236269
(3-butan-2-ylcyclopentyl)-trimethylsilane
CID 176746721
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane?
The IUPAC name of 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane (CID 162271463) is 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane.
What is the SMILES notation for 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane?
The canonical SMILES for 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane is C.CC.CC.CCC(C)C1CCC(C)C1.P.
What is the InChIKey of 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane?
The InChIKey is PBIDVFDMWWUWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C2H6.CH4.H3P/c1-4-9(3)10-6-5-8(2)7-10;2*1-2;;/h8-10H,4-7H2,1-3H3;2*1-2H3;1H4;1H3.
What are the key properties of 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane?
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane has a molecular weight of 250.45 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane is sourced from PubChem (CID 162271463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).