1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C14H26 — CID 153382401

IUPAC1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)C1CCC2C(C)CC(C)C2C1
InChIInChI=1S/C14H26/c1-9(2)12-5-6-13-10(3)7-11(4)14(13)8-12/h9-14H,5-8H2,1-4H3
InChIKeyLPXPDAIYHNAXTD-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 153382401) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID153382401
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)C1CCC2C(C)CC(C)C2C1
InChIInChI=1S/C14H26/c1-9(2)12-5-6-13-10(3)7-11(4)14(13)8-12/h9-14H,5-8H2,1-4H3
InChIKeyLPXPDAIYHNAXTD-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S,3aR,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
CID 164974634
(3S,3aS,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one;(3S,3aS,5R,8S,8aR)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one;(3S,3aR,5R,8S,8aS)-3,8-dimethyl-5-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
CID 164979688
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 58030228
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 153382401) is 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC(C)C1CCC2C(C)CC(C)C2C1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is LPXPDAIYHNAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-9(2)12-5-6-13-10(3)7-11(4)14(13)8-12/h9-14H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 194.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 153382401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).