4-tert-butyl-1,2-dihydroacenaphthylene

C16H18 — CID 12680926

IUPAC4-tert-butyl-1,2-dihydroacenaphthylene
SMILESCC(C)(C)c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C16H18/c1-16(2,3)14-9-12-6-4-5-11-7-8-13(10-14)15(11)12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyWWAIMVHOFDLHAN-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.24
Rot. Bonds

About 4-tert-butyl-1,2-dihydroacenaphthylene

4-tert-butyl-1,2-dihydroacenaphthylene (PubChem CID 12680926) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name4-tert-butyl-1,2-dihydroacenaphthylene
PubChem CID12680926
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name4-tert-butyl-1,2-dihydroacenaphthylene
SMILESCC(C)(C)c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C16H18/c1-16(2,3)14-9-12-6-4-5-11-7-8-13(10-14)15(11)12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyWWAIMVHOFDLHAN-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-4,5-dihydropyrene
CID 91512815
1,2-dihydroacenaphthylene
CID 161018660
5,8-ditert-butyl-2,3-dihydrophenalen-1-one
CID 101144956
2,7-ditert-butylpyrene;ethane
CID 161091366
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
CID 140995624
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
5-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 10767079
6,13,20,27-tetratert-butylpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(28),4,6,8(32),11,13,15(31),18(30),19,21,25(29),26-dodecaene-29,30,31,32-tetrol
CID 12707932
1,2-dihydroacenaphthylen-4-yl 2,2,2-trifluoroacetate
CID 126575550

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dihydroacenaphthylene?
The IUPAC name of 4-tert-butyl-1,2-dihydroacenaphthylene (CID 12680926) is 4-tert-butyl-1,2-dihydroacenaphthylene.
What is the SMILES notation for 4-tert-butyl-1,2-dihydroacenaphthylene?
The canonical SMILES for 4-tert-butyl-1,2-dihydroacenaphthylene is CC(C)(C)c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 4-tert-butyl-1,2-dihydroacenaphthylene?
The InChIKey is WWAIMVHOFDLHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-16(2,3)14-9-12-6-4-5-11-7-8-13(10-14)15(11)12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1,2-dihydroacenaphthylene?
4-tert-butyl-1,2-dihydroacenaphthylene has a molecular weight of 210.32 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dihydroacenaphthylene is sourced from PubChem (CID 12680926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).