1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C18H34 — CID 57108870

IUPAC1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)CC(C)(C)CC1CCCC2CCCCC21
InChIInChI=1S/C18H34/c1-14(2)12-18(3,4)13-16-10-7-9-15-8-5-6-11-17(15)16/h14-17H,5-13H2,1-4H3
InChIKeyVGTDDGGCUGQAJL-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds4

About 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 57108870) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID57108870
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)CC(C)(C)CC1CCCC2CCCCC21
InChIInChI=1S/C18H34/c1-14(2)12-18(3,4)13-16-10-7-9-15-8-5-6-11-17(15)16/h14-17H,5-13H2,1-4H3
InChIKeyVGTDDGGCUGQAJL-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane
CID 59279852
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
[2-(2-methylpropyl)cyclopropyl]cyclopentane
CID 19768855
N-[(2-cyclopentylcycloheptyl)methyl]-2-methylpropan-2-amine
CID 81025228
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanal
CID 174537537
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
(2R)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22812957
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 57108870) is 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(C)CC(C)(C)CC1CCCC2CCCCC21.
What is the InChIKey of 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is VGTDDGGCUGQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-14(2)12-18(3,4)13-16-10-7-9-15-8-5-6-11-17(15)16/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 250.47 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 57108870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).