(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane

C9H13P — CID 123672408

IUPAC(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane
SMILESCC1=CC(C)=C(P)CC=C1
InChIInChI=1S/C9H13P/c1-7-4-3-5-9(10)8(2)6-7/h3-4,6H,5,10H2,1-2H3
InChIKeyWQTQKONWGZLCDC-UHFFFAOYSA-N
MW152.18 g/mol
LogP3.04
Rot. Bonds

About (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane

(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane (PubChem CID 123672408) has the molecular formula C9H13P and a molecular weight of 152.18 g/mol. Its IUPAC name is (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane.

Molecular Properties

Compound Name(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane
PubChem CID123672408
Molecular FormulaC9H13P
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Name(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane
SMILESCC1=CC(C)=C(P)CC=C1
InChIInChI=1S/C9H13P/c1-7-4-3-5-9(10)8(2)6-7/h3-4,6H,5,10H2,1-2H3
InChIKeyWQTQKONWGZLCDC-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 53.04
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

(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
CID 123474573
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine
CID 143195302
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
4-methyl-1-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 144640370
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
4-methylcyclohepta-1,3,5-triene-1-carbonitrile
CID 18343928
6-methyl-2,3-dihydroazocine
CID 123702190
4-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843
1-(4-bromophenyl)-4-methylcyclohepta-1,3,5-triene
CID 142964988
(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine
CID 167169788

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane?
The IUPAC name of (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane (CID 123672408) is (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane.
What is the SMILES notation for (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane?
The canonical SMILES for (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane is CC1=CC(C)=C(P)CC=C1.
What is the InChIKey of (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane?
The InChIKey is WQTQKONWGZLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P/c1-7-4-3-5-9(10)8(2)6-7/h3-4,6H,5,10H2,1-2H3.
What are the key properties of (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane?
(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane has a molecular weight of 152.18 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane is sourced from PubChem (CID 123672408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).