(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane

C23H44 — CID 91251322

IUPAC(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
SMILESCC1=C(C)[C@@H](C)C(C)C1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CCC
InChIInChI=1S/2C10H18.C3H8/c2*1-6-7(2)9(4)10(5)8(6)3;1-3-2/h2*6-8H,1-5H3;3H2,1-2H3/t6?,7-,8?;6?,7-,8+;/m0../s1
InChIKeyQRROHBMBMXNIFF-PHKNBCOZSA-N
MW320.61 g/mol
LogP7.91
Rot. Bonds

About (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane

(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane (PubChem CID 91251322) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane.

Molecular Properties

Compound Name(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
PubChem CID91251322
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
SMILESCC1=C(C)[C@@H](C)C(C)C1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CCC
InChIInChI=1S/2C10H18.C3H8/c2*1-6-7(2)9(4)10(5)8(6)3;1-3-2/h2*6-8H,1-5H3;3H2,1-2H3/t6?,7-,8?;6?,7-,8+;/m0../s1
InChIKeyQRROHBMBMXNIFF-PHKNBCOZSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane?
The IUPAC name of (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane (CID 91251322) is (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane.
What is the SMILES notation for (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane?
The canonical SMILES for (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane is CC1=C(C)[C@@H](C)C(C)C1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CCC.
What is the InChIKey of (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane?
The InChIKey is QRROHBMBMXNIFF-PHKNBCOZSA-N. The full InChI is InChI=1S/2C10H18.C3H8/c2*1-6-7(2)9(4)10(5)8(6)3;1-3-2/h2*6-8H,1-5H3;3H2,1-2H3/t6?,7-,8?;6?,7-,8+;/m0../s1.
What are the key properties of (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane?
(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane has a molecular weight of 320.61 g/mol, XLogP of 7.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane is sourced from PubChem (CID 91251322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).