2-tert-butylcyclohexa-1,3-diene;phosphane

C10H19P — CID 159538716

IUPAC2-tert-butylcyclohexa-1,3-diene;phosphane
SMILESCC(C)(C)C1=CCCC=C1.P
InChIInChI=1S/C10H16.H3P/c1-10(2,3)9-7-5-4-6-8-9;/h5,7-8H,4,6H2,1-3H3;1H3
InChIKeyMDXPPDJGTJTLPV-UHFFFAOYSA-N
MW170.24 g/mol
LogP3.37
Rot. Bonds

About 2-tert-butylcyclohexa-1,3-diene;phosphane

2-tert-butylcyclohexa-1,3-diene;phosphane (PubChem CID 159538716) has the molecular formula C10H19P and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-tert-butylcyclohexa-1,3-diene;phosphane.

Molecular Properties

Compound Name2-tert-butylcyclohexa-1,3-diene;phosphane
PubChem CID159538716
Molecular FormulaC10H19P
Molecular Weight170.24 g/mol
Exact Mass170.12
IUPAC Name2-tert-butylcyclohexa-1,3-diene;phosphane
SMILESCC(C)(C)C1=CCCC=C1.P
InChIInChI=1S/C10H16.H3P/c1-10(2,3)9-7-5-4-6-8-9;/h5,7-8H,4,6H2,1-3H3;1H3
InChIKeyMDXPPDJGTJTLPV-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 53.37
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

1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
CID 171099353
2-[2-(disulfanyl)propan-2-yl]cyclohexa-1,3-diene
CID 144619532
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
2-cyclohexa-1,5-dien-1-ylbutan-2-yl acetate
CID 144561266
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
CID 142915490
(1E,2Z,6Z)-8-tert-butyl-4,5-dihydroazocin-2-amine
CID 176957917
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate
CID 146492335
methane;2-methylcyclohexa-1,3-diene
CID 143188946
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
5-tert-butyl-2H-pyran
CID 89425236

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexa-1,3-diene;phosphane?
The IUPAC name of 2-tert-butylcyclohexa-1,3-diene;phosphane (CID 159538716) is 2-tert-butylcyclohexa-1,3-diene;phosphane.
What is the SMILES notation for 2-tert-butylcyclohexa-1,3-diene;phosphane?
The canonical SMILES for 2-tert-butylcyclohexa-1,3-diene;phosphane is CC(C)(C)C1=CCCC=C1.P.
What is the InChIKey of 2-tert-butylcyclohexa-1,3-diene;phosphane?
The InChIKey is MDXPPDJGTJTLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.H3P/c1-10(2,3)9-7-5-4-6-8-9;/h5,7-8H,4,6H2,1-3H3;1H3.
What are the key properties of 2-tert-butylcyclohexa-1,3-diene;phosphane?
2-tert-butylcyclohexa-1,3-diene;phosphane has a molecular weight of 170.24 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexa-1,3-diene;phosphane is sourced from PubChem (CID 159538716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).