3a,4,5,6-tetrahydro-1H-indene;ethane

C11H18 — CID 90917521

IUPAC3a,4,5,6-tetrahydro-1H-indene;ethane
SMILESC1=CC2CCCC=C2C1.CC
InChIInChI=1S/C9H12.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3
InChIKeyNDVRSUDCBBSFGD-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds

About 3a,4,5,6-tetrahydro-1H-indene;ethane

3a,4,5,6-tetrahydro-1H-indene;ethane (PubChem CID 90917521) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3a,4,5,6-tetrahydro-1H-indene;ethane.

Molecular Properties

Compound Name3a,4,5,6-tetrahydro-1H-indene;ethane
PubChem CID90917521
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3a,4,5,6-tetrahydro-1H-indene;ethane
SMILESC1=CC2CCCC=C2C1.CC
InChIInChI=1S/C9H12.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3
InChIKeyNDVRSUDCBBSFGD-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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

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4-cyclohex-2-en-1-ylpyridine
CID 12718499
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
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1,2,3,3a-tetrahydropentalene;ethane
CID 91210695
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
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1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6-tetrahydro-1H-indene;ethane?
The IUPAC name of 3a,4,5,6-tetrahydro-1H-indene;ethane (CID 90917521) is 3a,4,5,6-tetrahydro-1H-indene;ethane.
What is the SMILES notation for 3a,4,5,6-tetrahydro-1H-indene;ethane?
The canonical SMILES for 3a,4,5,6-tetrahydro-1H-indene;ethane is C1=CC2CCCC=C2C1.CC.
What is the InChIKey of 3a,4,5,6-tetrahydro-1H-indene;ethane?
The InChIKey is NDVRSUDCBBSFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2/h3-4,7,9H,1-2,5-6H2;1-2H3.
What are the key properties of 3a,4,5,6-tetrahydro-1H-indene;ethane?
3a,4,5,6-tetrahydro-1H-indene;ethane has a molecular weight of 150.26 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6-tetrahydro-1H-indene;ethane is sourced from PubChem (CID 90917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).