1-chloro-3-propan-2-ylcyclononane

C12H23Cl — CID 155075907

IUPAC1-chloro-3-propan-2-ylcyclononane
SMILESCC(C)C1CCCCCCC(Cl)C1
InChIInChI=1S/C12H23Cl/c1-10(2)11-7-5-3-4-6-8-12(13)9-11/h10-12H,3-9H2,1-2H3
InChIKeyFMZDRZPNJWHABG-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.61
Rot. Bonds1

About 1-chloro-3-propan-2-ylcyclononane

1-chloro-3-propan-2-ylcyclononane (PubChem CID 155075907) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylcyclononane.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylcyclononane
PubChem CID155075907
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name1-chloro-3-propan-2-ylcyclononane
SMILESCC(C)C1CCCCCCC(Cl)C1
InChIInChI=1S/C12H23Cl/c1-10(2)11-7-5-3-4-6-8-12(13)9-11/h10-12H,3-9H2,1-2H3
InChIKeyFMZDRZPNJWHABG-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.61
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

methane;propan-2-ylcyclotetradecane
CID 159882779
ethane;methane;propan-2-ylcyclohexane
CID 169430642
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
CID 134343911
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
benzene;propan-2-ylcyclohexane
CID 163364158
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
1-cyclopentylethylcyclohexane
CID 57034702
3-propan-2-ylcycloheptane-1-thiol
CID 118389510
bis(3-chlorocyclohexyl)methanamine
CID 141387769
propane;propan-2-ylcyclopentane
CID 91615250
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
2-cyclohexylpropanoyl chloride
CID 3016042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylcyclononane?
The IUPAC name of 1-chloro-3-propan-2-ylcyclononane (CID 155075907) is 1-chloro-3-propan-2-ylcyclononane.
What is the SMILES notation for 1-chloro-3-propan-2-ylcyclononane?
The canonical SMILES for 1-chloro-3-propan-2-ylcyclononane is CC(C)C1CCCCCCC(Cl)C1.
What is the InChIKey of 1-chloro-3-propan-2-ylcyclononane?
The InChIKey is FMZDRZPNJWHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-10(2)11-7-5-3-4-6-8-12(13)9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-chloro-3-propan-2-ylcyclononane?
1-chloro-3-propan-2-ylcyclononane has a molecular weight of 202.77 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylcyclononane is sourced from PubChem (CID 155075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).