2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene

C10H16 — CID 145030144

IUPAC2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
SMILESCC1CC2=CCCCC2C1
InChIInChI=1S/C10H16/c1-8-6-9-4-2-3-5-10(9)7-8/h4,8,10H,2-3,5-7H2,1H3
InChIKeyZXBYFKJCKRVWON-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene

2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene (PubChem CID 145030144) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene.

Molecular Properties

Compound Name2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
PubChem CID145030144
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
SMILESCC1CC2=CCCCC2C1
InChIInChI=1S/C10H16/c1-8-6-9-4-2-3-5-10(9)7-8/h4,8,10H,2-3,5-7H2,1H3
InChIKeyZXBYFKJCKRVWON-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451
(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene
CID 163698543
2-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 101316701
[3-bis(4-methylphenyl)phosphanyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]-bis(4-methylphenyl)phosphane
CID 87964515
2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propane-2-thiol
CID 164584810
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
4-methylbicyclo[4.2.0]oct-1-ene
CID 145440699
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
2,3,3a,4,5,6-hexahydro-1H-indene;tetraphenylboranuide
CID 175964002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The IUPAC name of 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene (CID 145030144) is 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene.
What is the SMILES notation for 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The canonical SMILES for 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene is CC1CC2=CCCCC2C1.
What is the InChIKey of 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The InChIKey is ZXBYFKJCKRVWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-6-9-4-2-3-5-10(9)7-8/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene is sourced from PubChem (CID 145030144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).