1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

C19H36 — CID 59116018

IUPAC1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESCCCC1C(C)C(C)C2CC(C)C(C)C(C)C(C)C12
InChIInChI=1S/C19H36/c1-8-9-17-14(5)15(6)18-10-11(2)12(3)13(4)16(7)19(17)18/h11-19H,8-10H2,1-7H3
InChIKeyCLSFOOMHAUQPGB-UHFFFAOYSA-N
MW264.50 g/mol
LogP5.87
Rot. Bonds2

About 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (PubChem CID 59116018) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.

Molecular Properties

Compound Name1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
PubChem CID59116018
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESCCCC1C(C)C(C)C2CC(C)C(C)C(C)C(C)C12
InChIInChI=1S/C19H36/c1-8-9-17-14(5)15(6)18-10-11(2)12(3)13(4)16(7)19(17)18/h11-19H,8-10H2,1-7H3
InChIKeyCLSFOOMHAUQPGB-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene with MolForge

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Related Compounds

2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
CID 91214227
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 162292699
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
(3,4,5,6,7-pentamethyl-8-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) 2,2-dimethylbutanoate
CID 18683566
3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
CID 123273442
3,7,9-trimethyl-2-propylbicyclo[3.3.1]nonane
CID 123562796
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The IUPAC name of 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (CID 59116018) is 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.
What is the SMILES notation for 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The canonical SMILES for 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is CCCC1C(C)C(C)C2CC(C)C(C)C(C)C(C)C12.
What is the InChIKey of 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The InChIKey is CLSFOOMHAUQPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-8-9-17-14(5)15(6)18-10-11(2)12(3)13(4)16(7)19(17)18/h11-19H,8-10H2,1-7H3.
What are the key properties of 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene has a molecular weight of 264.50 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is sourced from PubChem (CID 59116018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).