1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane

C13H24 — CID 162105362

IUPAC1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
SMILESCC.CC(C)C1=C(C(C)C)CC=C1
InChIInChI=1S/C11H18.C2H6/c1-8(2)10-6-5-7-11(10)9(3)4;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3
InChIKeyZFKYZXMMDUEFLV-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds2

About 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane

1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane (PubChem CID 162105362) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
PubChem CID162105362
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
SMILESCC.CC(C)C1=C(C(C)C)CC=C1
InChIInChI=1S/C11H18.C2H6/c1-8(2)10-6-5-7-11(10)9(3)4;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3
InChIKeyZFKYZXMMDUEFLV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
CID 174160021
1-methyl-3-[(3-methylphenyl)-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
CID 123655796
dimethyl-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 102435122
tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 140588892
2-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)ethenone
CID 175138937
2-methylidene-6,7-di(propan-2-yl)-1,3-dihydroazepine
CID 162270844
ethane;1,3,4-tri(propan-2-yl)-2H-azepin-7-one
CID 162282715
7-propan-2-yl-2,3,3a,4-tetrahydro-1H-indene
CID 139711822
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane?
The IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane (CID 162105362) is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane.
What is the SMILES notation for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane?
The canonical SMILES for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane is CC.CC(C)C1=C(C(C)C)CC=C1.
What is the InChIKey of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane?
The InChIKey is ZFKYZXMMDUEFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-8(2)10-6-5-7-11(10)9(3)4;1-2/h5-6,8-9H,7H2,1-4H3;1-2H3.
What are the key properties of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane?
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane has a molecular weight of 180.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane is sourced from PubChem (CID 162105362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).