6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene

C16H30 — CID 135121997

IUPAC6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
SMILESCC1(C)CC2CCCCC2C(C)(C)C1(C)C
InChIInChI=1S/C16H30/c1-14(2)11-12-9-7-8-10-13(12)15(3,4)16(14,5)6/h12-13H,7-11H2,1-6H3
InChIKeyXUVLMQRCSBLMMO-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds

About 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene

6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene (PubChem CID 135121997) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
PubChem CID135121997
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
SMILESCC1(C)CC2CCCCC2C(C)(C)C1(C)C
InChIInChI=1S/C16H30/c1-14(2)11-12-9-7-8-10-13(12)15(3,4)16(14,5)6/h12-13H,7-11H2,1-6H3
InChIKeyXUVLMQRCSBLMMO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
Taxane
CID 9548828
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Amorphane
CID 34540

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The IUPAC name of 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene (CID 135121997) is 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene.
What is the SMILES notation for 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The canonical SMILES for 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene is CC1(C)CC2CCCCC2C(C)(C)C1(C)C.
What is the InChIKey of 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
The InChIKey is XUVLMQRCSBLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-14(2)11-12-9-7-8-10-13(12)15(3,4)16(14,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene?
6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8-hexamethyl-2,3,4,4a,5,8a-hexahydro-1H-naphthalene is sourced from PubChem (CID 135121997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).