4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane

C9H9Cl — CID 10397012

IUPAC4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESClC12C3C4CC5C3C1C5C42
InChIInChI=1S/C9H9Cl/c10-9-6-3-1-2-4(6)8(9)5(2)7(3)9/h2-8H,1H2
InChIKeyWBCYVNDSPMRLOQ-UHFFFAOYSA-N
MW152.62 g/mol
LogP1.74
Rot. Bonds

About 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane

4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane (PubChem CID 10397012) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane.

Molecular Properties

Compound Name4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
PubChem CID10397012
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
SMILESClC12C3C4CC5C3C1C5C42
InChIInChI=1S/C9H9Cl/c10-9-6-3-1-2-4(6)8(9)5(2)7(3)9/h2-8H,1H2
InChIKeyWBCYVNDSPMRLOQ-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6S,7R,9R,10S,13S,14R)-3,4,5,6,10,11,12,13,16,16,17,17-dodecachlorohexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadeca-4,11-diene
CID 99649825
heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
CID 14762495
(1S,7R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
CID 134979367
(2R,3R,6R,7R)-4-ethoxypentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 98162235
3-chloro-5-iodotricyclo[2.2.1.02,6]heptane
CID 91699610
octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane
CID 134899170
4,4,8,8-tetrachlorotricyclo[5.1.0.03,5]octane
CID 12536814
(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
(1R,2R,3R,4R,6R,7S,8R,9S,10R,12S)-4-(trichloromethyl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
CID 98043608
(1S,2S,4R,5S,7R,9S)-3,3,6,6,10,10-hexachlorotetracyclo[7.1.0.02,4.05,7]decane
CID 11945003
[(1S,2R,3R,4R,6S,7R,8S,9R,10S,12R)-5-(hydroxymethyl)-5-hexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecanyl]methanol
CID 124791229
(2S,3R,5S,6R,8S,9R,11S,12R)-4,10-dioxahexacyclo[5.5.1.02,6.03,5.08,12.09,11]tridecane-3,5,9,11-tetracarbonyl chloride
CID 101057066

Frequently Asked Questions

What is the IUPAC name of 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The IUPAC name of 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane (CID 10397012) is 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane.
What is the SMILES notation for 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The canonical SMILES for 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane is ClC12C3C4CC5C3C1C5C42.
What is the InChIKey of 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane?
The InChIKey is WBCYVNDSPMRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c10-9-6-3-1-2-4(6)8(9)5(2)7(3)9/h2-8H,1H2.
What are the key properties of 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane?
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane has a molecular weight of 152.62 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane is sourced from PubChem (CID 10397012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).