3-methyl-1-propan-2-ylcyclopenta-1,3-diene

C9H14 — CID 18793792

IUPAC3-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC1=CCC(C(C)C)=C1
InChIInChI=1S/C9H14/c1-7(2)9-5-4-8(3)6-9/h4,6-7H,5H2,1-3H3
InChIKeyFLWSPSZKEHTIQV-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 3-methyl-1-propan-2-ylcyclopenta-1,3-diene

3-methyl-1-propan-2-ylcyclopenta-1,3-diene (PubChem CID 18793792) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylcyclopenta-1,3-diene
PubChem CID18793792
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC1=CCC(C(C)C)=C1
InChIInChI=1S/C9H14/c1-7(2)9-5-4-8(3)6-9/h4,6-7H,5H2,1-3H3
InChIKeyFLWSPSZKEHTIQV-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isoterpinolene
CID 102443
5-Butyl-1,3-cyclopentadiene
CID 528183
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
Caparratriene
CID 6442208
2,6-Dimethyl-2-heptene
CID 521663
2-Hexene, 3,5-dimethyl-
CID 5362848
trans-Dihydroocimene
CID 5463450
1,2,3-Trimethylcyclopentadiene
CID 138063
3,7,11-Trimethyl-2E,4E,10-dodecatriene
CID 5459291
(2Z,4E)-3,7,11-Trimethyl-2,4,10-dodecatriene
CID 6477556
Tert-butylcyclopentadiene
CID 633714
o-Mentha-1(7),5,8-triene
CID 71403442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of 3-methyl-1-propan-2-ylcyclopenta-1,3-diene (CID 18793792) is 3-methyl-1-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 3-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 3-methyl-1-propan-2-ylcyclopenta-1,3-diene is CC1=CCC(C(C)C)=C1.
What is the InChIKey of 3-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is FLWSPSZKEHTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7(2)9-5-4-8(3)6-9/h4,6-7H,5H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylcyclopenta-1,3-diene?
3-methyl-1-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 18793792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).