3-chlorospiro[3.4]octane

C8H13Cl — CID 141290202

IUPAC3-chlorospiro[3.4]octane
SMILESClC1CCC12CCCC2
InChIInChI=1S/C8H13Cl/c9-7-3-6-8(7)4-1-2-5-8/h7H,1-6H2
InChIKeyCZROAMKRVKNUOL-UHFFFAOYSA-N
MW144.64 g/mol
LogP2.95
Rot. Bonds

About 3-chlorospiro[3.4]octane

3-chlorospiro[3.4]octane (PubChem CID 141290202) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 3-chlorospiro[3.4]octane.

Molecular Properties

Compound Name3-chlorospiro[3.4]octane
PubChem CID141290202
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name3-chlorospiro[3.4]octane
SMILESClC1CCC12CCCC2
InChIInChI=1S/C8H13Cl/c9-7-3-6-8(7)4-1-2-5-8/h7H,1-6H2
InChIKeyCZROAMKRVKNUOL-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.95
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

3-methylspiro[3.5]nonane
CID 57473010
3-(1-chloropropyl)spiro[3.4]octane
CID 164649951
(4S)-4-methylspiro[4.4]nonane
CID 148967518
N-methylspiro[3.5]nonan-3-amine
CID 102951104
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835
8-(dichloromethyl)spiro[2.5]octane
CID 71341933
spiro[4.5]decan-4-ylsilane
CID 150882370
(8S)-spiro[2.5]octan-8-amine
CID 89147381
spiro[5.6]dodecan-12-amine
CID 15021866
(8R)-spiro[2.5]octan-8-amine
CID 89147380
5-iodospiro[5.5]undecane
CID 164989917

Frequently Asked Questions

What is the IUPAC name of 3-chlorospiro[3.4]octane?
The IUPAC name of 3-chlorospiro[3.4]octane (CID 141290202) is 3-chlorospiro[3.4]octane.
What is the SMILES notation for 3-chlorospiro[3.4]octane?
The canonical SMILES for 3-chlorospiro[3.4]octane is ClC1CCC12CCCC2.
What is the InChIKey of 3-chlorospiro[3.4]octane?
The InChIKey is CZROAMKRVKNUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c9-7-3-6-8(7)4-1-2-5-8/h7H,1-6H2.
What are the key properties of 3-chlorospiro[3.4]octane?
3-chlorospiro[3.4]octane has a molecular weight of 144.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorospiro[3.4]octane is sourced from PubChem (CID 141290202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).