1,3,3-trimethyl-6-methylidenecyclohexene

C10H16 — CID 13354248

IUPAC1,3,3-trimethyl-6-methylidenecyclohexene
SMILESC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C10H16/c1-8-5-6-10(3,4)7-9(8)2/h7H,1,5-6H2,2-4H3
InChIKeyLNLLQPFRYOOJHC-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds

About 1,3,3-trimethyl-6-methylidenecyclohexene

1,3,3-trimethyl-6-methylidenecyclohexene (PubChem CID 13354248) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-methylidenecyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-6-methylidenecyclohexene
PubChem CID13354248
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,3,3-trimethyl-6-methylidenecyclohexene
SMILESC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C10H16/c1-8-5-6-10(3,4)7-9(8)2/h7H,1,5-6H2,2-4H3
InChIKeyLNLLQPFRYOOJHC-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-methylidenecyclohexene?
The IUPAC name of 1,3,3-trimethyl-6-methylidenecyclohexene (CID 13354248) is 1,3,3-trimethyl-6-methylidenecyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-6-methylidenecyclohexene?
The canonical SMILES for 1,3,3-trimethyl-6-methylidenecyclohexene is C=C1CCC(C)(C)C=C1C.
What is the InChIKey of 1,3,3-trimethyl-6-methylidenecyclohexene?
The InChIKey is LNLLQPFRYOOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-5-6-10(3,4)7-9(8)2/h7H,1,5-6H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-6-methylidenecyclohexene?
1,3,3-trimethyl-6-methylidenecyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-methylidenecyclohexene is sourced from PubChem (CID 13354248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).