1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C14H26 — CID 142470319

IUPAC1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)C1CCC2CCCCC2C1C
InChIInChI=1S/C14H26/c1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3/h10-14H,4-9H2,1-3H3
InChIKeyHNPXYBHZLYRZHZ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds1

About 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142470319) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142470319
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)C1CCC2CCCCC2C1C
InChIInChI=1S/C14H26/c1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3/h10-14H,4-9H2,1-3H3
InChIKeyHNPXYBHZLYRZHZ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
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(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142470319) is 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(C)C1CCC2CCCCC2C1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HNPXYBHZLYRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)13-9-8-12-6-4-5-7-14(12)11(13)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 194.36 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142470319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).