4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene

C16H30 — CID 123277009

IUPAC4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
SMILESCC1(C)CCC2CCCC(C)(C)CC2CC1
InChIInChI=1S/C16H30/c1-15(2)10-7-13-6-5-9-16(3,4)12-14(13)8-11-15/h13-14H,5-12H2,1-4H3
InChIKeyOHOSRCKQBPZSBK-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds

About 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene

4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene (PubChem CID 123277009) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene.

Molecular Properties

Compound Name4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
PubChem CID123277009
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
SMILESCC1(C)CCC2CCCC(C)(C)CC2CC1
InChIInChI=1S/C16H30/c1-15(2)10-7-13-6-5-9-16(3,4)12-14(13)8-11-15/h13-14H,5-12H2,1-4H3
InChIKeyOHOSRCKQBPZSBK-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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N,N,3,3-tetramethylcyclohexan-1-amine
CID 70268613
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1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
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(3,3-dimethylcyclohexyl)methanol
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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene?
The IUPAC name of 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene (CID 123277009) is 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene.
What is the SMILES notation for 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene?
The canonical SMILES for 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene is CC1(C)CCC2CCCC(C)(C)CC2CC1.
What is the InChIKey of 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene?
The InChIKey is OHOSRCKQBPZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-15(2)10-7-13-6-5-9-16(3,4)12-14(13)8-11-15/h13-14H,5-12H2,1-4H3.
What are the key properties of 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene?
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene has a molecular weight of 222.42 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene is sourced from PubChem (CID 123277009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).