1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene

C10H14 — CID 13425711

IUPAC1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(C)(C)C=C1C
InChIInChI=1S/C10H14/c1-8-5-6-10(3,4)7-9(8)2/h5-7H,1H2,2-4H3
InChIKeySVWWSQKNHPPPHM-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds

About 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene

1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene (PubChem CID 13425711) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
PubChem CID13425711
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(C)(C)C=C1C
InChIInChI=1S/C10H14/c1-8-5-6-10(3,4)7-9(8)2/h5-7H,1H2,2-4H3
InChIKeySVWWSQKNHPPPHM-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene
CID 121222805
2-bromo-5,5-dimethylcyclopenta-1,3-diene
CID 10844938
ethane;6,6,8-trimethylcyclohepta[b]thiophene
CID 142150730
ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
CID 144813213
2-ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572140
1-methyl-1-(3,3,6,6,8-pentamethylcycloocta-1,4,7-trien-1-yl)hydrazine
CID 163795963
3,3,6,6-tetramethylcycloocta-1,4,7-triene-1-sulfonamide
CID 123992831
2-[(1Z)-buta-1,3-dienyl]-3,7,7-trimethylcyclohepta-1,3,5-triene
CID 171540710
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
3-(5,5-dimethylhexa-1,3-dien-2-yl)-4,5,7,7-tetramethylbenzo[7]annulene
CID 123231380
2,4-ditert-butyl-7,7-dimethylcyclohepta-1,3,5-triene
CID 546588
3-methyl-4-methylidene-1H-pyridine
CID 59284149

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene (CID 13425711) is 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene is C=C1C=CC(C)(C)C=C1C.
What is the InChIKey of 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene?
The InChIKey is SVWWSQKNHPPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-5-6-10(3,4)7-9(8)2/h5-7H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene?
1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 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-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 13425711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).