1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane

C10H13P — CID 58051264

IUPAC1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESCC12PC3(C)C4C5C(C41)C2C53
InChIInChI=1S/C10H13P/c1-9-5-3-4-7(5)10(2,11-9)8(4)6(3)9/h3-8,11H,1-2H3
InChIKeyKUYGQATVHAGHOT-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.95
Rot. Bonds

About 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane

1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane (PubChem CID 58051264) has the molecular formula C10H13P and a molecular weight of 164.19 g/mol. Its IUPAC name is 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane.

Molecular Properties

Compound Name1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane
PubChem CID58051264
Molecular FormulaC10H13P
Molecular Weight164.19 g/mol
Exact Mass164.08
IUPAC Name1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESCC12PC3(C)C4C5C(C41)C2C53
InChIInChI=1S/C10H13P/c1-9-5-3-4-7(5)10(2,11-9)8(4)6(3)9/h3-8,11H,1-2H3
InChIKeyKUYGQATVHAGHOT-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.95
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-methylcubane
CID 13245707
(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
CID 124807375
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
(2R,3S,6R,7S,9R)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 124910900
(2S,3S,6R,7S,9S)-4-methylpentacyclo[4.3.0.02,5.03,8.04,7]nonan-9-ol
CID 98554845
2,3-dimethyltricyclo[2.1.0.02,5]pentane
CID 123959749
(2S,3S,5S,6S)-2,3,5,6-tetrachloro-1-(chloromethyl)-7-(dichloromethyl)-7-methylbicyclo[2.2.1]heptane
CID 101100157
1-methylcyclopropane-1,2,3-triamine
CID 163904501
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
cuban-1-ylmercury
CID 70462284
(2-methylcuban-1-yl) acetate
CID 15274685

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The IUPAC name of 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane (CID 58051264) is 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane.
What is the SMILES notation for 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The canonical SMILES for 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane is CC12PC3(C)C4C5C(C41)C2C53.
What is the InChIKey of 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The InChIKey is KUYGQATVHAGHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13P/c1-9-5-3-4-7(5)10(2,11-9)8(4)6(3)9/h3-8,11H,1-2H3.
What are the key properties of 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane?
1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane has a molecular weight of 164.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-9-phosphapentacyclo[4.3.0.02,5.03,8.04,7]nonane is sourced from PubChem (CID 58051264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).