5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene

C14H22 — CID 141396778

IUPAC5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene
SMILESCC(C)C1=C(C(C)C)C2=C(CCC2)C1
InChIInChI=1S/C14H22/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyDJZSJSZWDBRPGP-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds2

About 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene

5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene (PubChem CID 141396778) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene
PubChem CID141396778
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene
SMILESCC(C)C1=C(C(C)C)C2=C(CCC2)C1
InChIInChI=1S/C14H22/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyDJZSJSZWDBRPGP-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene?
The IUPAC name of 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene (CID 141396778) is 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene.
What is the SMILES notation for 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene?
The canonical SMILES for 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene is CC(C)C1=C(C(C)C)C2=C(CCC2)C1.
What is the InChIKey of 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene?
The InChIKey is DJZSJSZWDBRPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene?
5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-1,2,3,4-tetrahydropentalene is sourced from PubChem (CID 141396778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).