4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C15H26 — CID 172615234

IUPAC4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC(C3CCCC3)C2C1
InChIInChI=1S/C15H26/c1-11-9-13-7-4-8-14(15(13)10-11)12-5-2-3-6-12/h11-15H,2-10H2,1H3
InChIKeyIXIPTNPDBBWGMP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds1

About 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 172615234) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID172615234
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC(C3CCCC3)C2C1
InChIInChI=1S/C15H26/c1-11-9-13-7-4-8-14(15(13)10-11)12-5-2-3-6-12/h11-15H,2-10H2,1H3
InChIKeyIXIPTNPDBBWGMP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58527703
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773
4-(3,5-ditert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123237411
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
7-[6-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-yl)-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl]-2-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
CID 153439325

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 172615234) is 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC2CCCC(C3CCCC3)C2C1.
What is the InChIKey of 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is IXIPTNPDBBWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-11-9-13-7-4-8-14(15(13)10-11)12-5-2-3-6-12/h11-15H,2-10H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 206.37 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 172615234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).