1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene

C17H30 — CID 163790924

IUPAC1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene
SMILESCC1C2(C)CC2C2(C)CCCC(C)(C)CC12C
InChIInChI=1S/C17H30/c1-12-15(4)10-13(15)16(5)9-7-8-14(2,3)11-17(12,16)6/h12-13H,7-11H2,1-6H3
InChIKeyMWQPZRRJSYXADX-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.28
Rot. Bonds

About 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene

1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene (PubChem CID 163790924) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene.

Molecular Properties

Compound Name1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene
PubChem CID163790924
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene
SMILESCC1C2(C)CC2C2(C)CCCC(C)(C)CC12C
InChIInChI=1S/C17H30/c1-12-15(4)10-13(15)16(5)9-7-8-14(2,3)11-17(12,16)6/h12-13H,7-11H2,1-6H3
InChIKeyMWQPZRRJSYXADX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene with MolForge

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Related Compounds

1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
5,7,8-trimethyltricyclo[3.2.1.01,4]octane
CID 123174186
1,1-dimethylcyclobutane;vanadium
CID 158712416
1,2,2,6,6-pentamethylpiperidine;1,1,3,3-tetramethylcyclohexane
CID 165011637
2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane
CID 140885775
2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
CID 123956231
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
7,7-dimethylspiro[2.5]octane-2-carboxamide
CID 91525320
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490

Frequently Asked Questions

What is the IUPAC name of 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene?
The IUPAC name of 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene (CID 163790924) is 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene.
What is the SMILES notation for 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene?
The canonical SMILES for 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene is CC1C2(C)CC2C2(C)CCCC(C)(C)CC12C.
What is the InChIKey of 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene?
The InChIKey is MWQPZRRJSYXADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-12-15(4)10-13(15)16(5)9-7-8-14(2,3)11-17(12,16)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene?
1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene has a molecular weight of 234.43 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 1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene is sourced from PubChem (CID 163790924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).