1,5-ditert-butyl-1,5-dihydropentalene

C16H24 — CID 165044993

IUPAC1,5-ditert-butyl-1,5-dihydropentalene
SMILESCC(C)(C)C1C=C2C=CC(C(C)(C)C)C2=C1
InChIInChI=1S/C16H24/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6/h7-10,12,14H,1-6H3
InChIKeyDAOCPQBVFNVPRF-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.75
Rot. Bonds

About 1,5-ditert-butyl-1,5-dihydropentalene

1,5-ditert-butyl-1,5-dihydropentalene (PubChem CID 165044993) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,5-ditert-butyl-1,5-dihydropentalene.

Molecular Properties

Compound Name1,5-ditert-butyl-1,5-dihydropentalene
PubChem CID165044993
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,5-ditert-butyl-1,5-dihydropentalene
SMILESCC(C)(C)C1C=C2C=CC(C(C)(C)C)C2=C1
InChIInChI=1S/C16H24/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6/h7-10,12,14H,1-6H3
InChIKeyDAOCPQBVFNVPRF-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 13283199
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CID 170690127
1-tert-butyl-1,6-dihydropentalene
CID 154612088
4-tert-butyl-4H-pyrrolo[3,4-b]pyridine
CID 130318482
2,4-ditert-butyl-6-(3,5-ditert-butyl-6-oxocyclohexa-1,4-dien-1-yl)cyclohexa-2,5-dien-1-one
CID 168842362
1,3-ditert-butyl-5-methylcyclohexa-1,4-diene
CID 91230432
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
1-tert-butyl-4-methylsulfonyl-1H-indene
CID 165372031
(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
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3,5-ditert-butyl-3H-furan-2-one
CID 59168586
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
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6-benzyl-3-tert-butyl-3H-pyridin-2-one
CID 58949526

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-1,5-dihydropentalene?
The IUPAC name of 1,5-ditert-butyl-1,5-dihydropentalene (CID 165044993) is 1,5-ditert-butyl-1,5-dihydropentalene.
What is the SMILES notation for 1,5-ditert-butyl-1,5-dihydropentalene?
The canonical SMILES for 1,5-ditert-butyl-1,5-dihydropentalene is CC(C)(C)C1C=C2C=CC(C(C)(C)C)C2=C1.
What is the InChIKey of 1,5-ditert-butyl-1,5-dihydropentalene?
The InChIKey is DAOCPQBVFNVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6/h7-10,12,14H,1-6H3.
What are the key properties of 1,5-ditert-butyl-1,5-dihydropentalene?
1,5-ditert-butyl-1,5-dihydropentalene has a molecular weight of 216.37 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-1,5-dihydropentalene is sourced from PubChem (CID 165044993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).