(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H24 — CID 129374932

IUPAC(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H24/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h10-13H,3-9H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyRIVBBHMGRSGNTJ-YNEHKIRRSA-N
MW180.34 g/mol
LogP4.25
Rot. Bonds1

About (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 129374932) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID129374932
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H24/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h10-13H,3-9H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyRIVBBHMGRSGNTJ-YNEHKIRRSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142300008
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2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 129374932) is (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1.
What is the InChIKey of (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is RIVBBHMGRSGNTJ-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h10-13H,3-9H2,1-2H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 180.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 129374932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).