(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene

C13H24 — CID 101214135

IUPAC(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
SMILESCCCC1=C(CCC)[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C13H24/c1-5-7-12-9-10(3)11(4)13(12)8-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyJKIBTLPJLQZKBA-QWRGUYRKSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds4

About (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene

(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene (PubChem CID 101214135) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
PubChem CID101214135
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
SMILESCCCC1=C(CCC)[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C13H24/c1-5-7-12-9-10(3)11(4)13(12)8-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyJKIBTLPJLQZKBA-QWRGUYRKSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
2,3-dimethyl-5-propylbicyclo[2.1.0]pent-1(5)-ene
CID 91344176
2,5-dimethyl-3-propylcyclopent-2-en-1-one
CID 139667465
1,3-dimethyl-2-propylcyclopentene
CID 143544281
2,3-dipropylcyclobuten-1-ol
CID 174995483
iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)
CID 22465099
2,6-dimethyl-4-propylcyclohex-3-en-1-amine
CID 123458778
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
1,3-dipropyl-4,5,6,7-tetrahydro-2H-indene
CID 102100274
1-bromo-4,5-dipropyl-2,3-dihydroborole
CID 125480410
(5,6-dimethyl-2-propylcyclohexa-2,4-dien-1-yl)phosphane
CID 143728382

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene?
The IUPAC name of (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene (CID 101214135) is (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene?
The canonical SMILES for (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene is CCCC1=C(CCC)[C@@H](C)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene?
The InChIKey is JKIBTLPJLQZKBA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24/c1-5-7-12-9-10(3)11(4)13(12)8-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene?
(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene is sourced from PubChem (CID 101214135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).