3,3-dichloro-1,2-dipropylcyclopropene

C9H14Cl2 — CID 134877644

IUPAC3,3-dichloro-1,2-dipropylcyclopropene
SMILESCCCC1=C(CCC)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3
InChIKeyBUZKWCVMAIIHIT-UHFFFAOYSA-N
MW193.12 g/mol
LogP4.07
Rot. Bonds4

About 3,3-dichloro-1,2-dipropylcyclopropene

3,3-dichloro-1,2-dipropylcyclopropene (PubChem CID 134877644) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3,3-dichloro-1,2-dipropylcyclopropene.

Molecular Properties

Compound Name3,3-dichloro-1,2-dipropylcyclopropene
PubChem CID134877644
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name3,3-dichloro-1,2-dipropylcyclopropene
SMILESCCCC1=C(CCC)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3
InChIKeyBUZKWCVMAIIHIT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
CID 134906561
trimethyl-(1,2,3,4,5-pentapropylcyclopenta-2,4-dien-1-yl)silane
CID 156896873
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one
CID 54341523
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
CID 10246100
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene
CID 102028748
(1Z,4Z,6S,8R)-1,2,3,3,4,5,6,7,8-nonapropylcycloocta-1,4-diene
CID 173419999
butane;chloromethane
CID 23360987
CID 122130275
CID 122130275
(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
CID 146026360
3-ethyl-5-propylpyrazole-3-carbothioamide
CID 123386567

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1,2-dipropylcyclopropene?
The IUPAC name of 3,3-dichloro-1,2-dipropylcyclopropene (CID 134877644) is 3,3-dichloro-1,2-dipropylcyclopropene.
What is the SMILES notation for 3,3-dichloro-1,2-dipropylcyclopropene?
The canonical SMILES for 3,3-dichloro-1,2-dipropylcyclopropene is CCCC1=C(CCC)C1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1,2-dipropylcyclopropene?
The InChIKey is BUZKWCVMAIIHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3.
What are the key properties of 3,3-dichloro-1,2-dipropylcyclopropene?
3,3-dichloro-1,2-dipropylcyclopropene has a molecular weight of 193.12 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1,2-dipropylcyclopropene is sourced from PubChem (CID 134877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).