2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C14H24 — CID 144769271

IUPAC2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=CC2CC(C)C(C)CC2CC1C
InChIInChI=1S/C14H24/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5,10-14H,6-8H2,1-4H3
InChIKeyWPFRCUGRUAXXSW-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.27
Rot. Bonds

About 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 144769271) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID144769271
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=CC2CC(C)C(C)CC2CC1C
InChIInChI=1S/C14H24/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5,10-14H,6-8H2,1-4H3
InChIKeyWPFRCUGRUAXXSW-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 144769271) is 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is CC1=CC2CC(C)C(C)CC2CC1C.
What is the InChIKey of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is WPFRCUGRUAXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5,10-14H,6-8H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 144769271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).