4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene

C14H24 — CID 175928717

IUPAC4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
SMILESCC1(C)CCC2=C(CCCC2(C)C)C1
InChIInChI=1S/C14H24/c1-13(2)9-7-12-11(10-13)6-5-8-14(12,3)4/h5-10H2,1-4H3
InChIKeyQKHJOFFTIQCUGD-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.70
Rot. Bonds

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

4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene (PubChem CID 175928717) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene.

Molecular Properties

Compound Name4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
PubChem CID175928717
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
SMILESCC1(C)CCC2=C(CCCC2(C)C)C1
InChIInChI=1S/C14H24/c1-13(2)9-7-12-11(10-13)6-5-8-14(12,3)4/h5-10H2,1-4H3
InChIKeyQKHJOFFTIQCUGD-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-ethenyl-4,4,7-trimethyl-1,2,3,5,6,8-hexahydronaphthalene
CID 10536210
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
6,6-dimethyl-1,2,3,4,5,7,8,9-octahydrobenzo[7]annulene;ethane
CID 142014547
5,5-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
CID 71497678
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143276982
2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene
CID 18705425
4,4-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
CID 14890909
6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
CID 130128432
(2E)-2-ethylidene-3,3-dimethylcyclohexan-1-one
CID 24976474
1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
acetaldehyde;(2S,3S)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143002875

Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene?
The IUPAC name of 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene (CID 175928717) is 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene.
What is the SMILES notation for 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene?
The canonical SMILES for 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene is CC1(C)CCC2=C(CCCC2(C)C)C1.
What is the InChIKey of 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene?
The InChIKey is QKHJOFFTIQCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-13(2)9-7-12-11(10-13)6-5-8-14(12,3)4/h5-10H2,1-4H3.
What are the key properties of 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene?
4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene is sourced from PubChem (CID 175928717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).