(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene

C11H16 — CID 153389792

IUPAC(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene
SMILESCC1=CC(C2(C)CC2)=C[C@@H]1C
InChIInChI=1S/C11H16/c1-8-6-10(7-9(8)2)11(3)4-5-11/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyKXYXUGSIFALSHR-QMMMGPOBSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds1

About (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene

(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene (PubChem CID 153389792) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene
PubChem CID153389792
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene
SMILESCC1=CC(C2(C)CC2)=C[C@@H]1C
InChIInChI=1S/C11H16/c1-8-6-10(7-9(8)2)11(3)4-5-11/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyKXYXUGSIFALSHR-QMMMGPOBSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene?
The IUPAC name of (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene (CID 153389792) is (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene.
What is the SMILES notation for (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene?
The canonical SMILES for (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene is CC1=CC(C2(C)CC2)=C[C@@H]1C.
What is the InChIKey of (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene?
The InChIKey is KXYXUGSIFALSHR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-10(7-9(8)2)11(3)4-5-11/h6-8H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene?
(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 153389792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).