5-methyl-2-propan-2-ylcyclohexa-1,3-diene

C10H16 — CID 6428962

IUPAC5-methyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC1C=CC(C(C)C)=CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3
InChIKeyAAIXZDBTEWDLSG-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds1

About 5-methyl-2-propan-2-ylcyclohexa-1,3-diene

5-methyl-2-propan-2-ylcyclohexa-1,3-diene (PubChem CID 6428962) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohexa-1,3-diene
PubChem CID6428962
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-methyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC1C=CC(C(C)C)=CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3
InChIKeyAAIXZDBTEWDLSG-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohexa-1,3-diene (CID 6428962) is 5-methyl-2-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohexa-1,3-diene is CC1C=CC(C(C)C)=CC1.
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is AAIXZDBTEWDLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
5-methyl-2-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 6428962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).