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

C14H26 — CID 59893526

IUPAC1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCC2C(C)CC(C)C2C1
InChIInChI=1S/C14H26/c1-4-5-12-6-7-13-10(2)8-11(3)14(13)9-12/h10-14H,4-9H2,1-3H3
InChIKeyLBVOIXNAPDAHHC-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds2

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

1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 59893526) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID59893526
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCC2C(C)CC(C)C2C1
InChIInChI=1S/C14H26/c1-4-5-12-6-7-13-10(2)8-11(3)14(13)9-12/h10-14H,4-9H2,1-3H3
InChIKeyLBVOIXNAPDAHHC-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
4-[(2R,4S)-2-methyl-4-propylcyclohexyl]cyclohexane-1-carbonitrile
CID 70402594
1-(iodomethyl)-3-propylcyclopentane
CID 148554374
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
3-propylbicyclo[4.2.0]octane
CID 145186098
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
(3-propylcyclopentyl)methanamine
CID 83635339
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 59893526) is 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCCC1CCC2C(C)CC(C)C2C1.
What is the InChIKey of 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is LBVOIXNAPDAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-5-12-6-7-13-10(2)8-11(3)14(13)9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 194.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 59893526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).