4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene

C14H24 — CID 150660993

IUPAC4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene
SMILESCC1C=C2CCCC(C)(C)C2CC1C
InChIInChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyJDWPHCKNEPGEMU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.41
Rot. Bonds

About 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene

4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene (PubChem CID 150660993) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene
PubChem CID150660993
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene
SMILESCC1C=C2CCCC(C)(C)C2CC1C
InChIInChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyJDWPHCKNEPGEMU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene?
The IUPAC name of 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene (CID 150660993) is 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene.
What is the SMILES notation for 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene?
The canonical SMILES for 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene is CC1C=C2CCCC(C)(C)C2CC1C.
What is the InChIKey of 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene?
The InChIKey is JDWPHCKNEPGEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene?
4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,7-tetramethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalene is sourced from PubChem (CID 150660993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).