tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene

C10H6 — CID 163701777

IUPACtetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene
SMILESc1cc2c3c4c1c(c24)CC3
InChIInChI=1S/C10H6/c1-2-6-8-4-3-7-5(1)9(8)10(6)7/h1-2H,3-4H2
InChIKeyKBQARYKXBHUBEN-UHFFFAOYSA-N
MW126.16 g/mol
LogP2.40
Rot. Bonds

About tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene

tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene (PubChem CID 163701777) has the molecular formula C10H6 and a molecular weight of 126.16 g/mol. Its IUPAC name is tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene.

Molecular Properties

Compound Nametetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene
PubChem CID163701777
Molecular FormulaC10H6
Molecular Weight126.16 g/mol
Exact Mass126.05
IUPAC Nametetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene
SMILESc1cc2c3c4c1c(c24)CC3
InChIInChI=1S/C10H6/c1-2-6-8-4-3-7-5(1)9(8)10(6)7/h1-2H,3-4H2
InChIKeyKBQARYKXBHUBEN-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
CID 91276144
5,6-dihydroxy-1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid
CID 70211962
1,3,6,8-tetrakis[4-(1,2,2-triphenylethenyl)phenyl]-4,5-dihydropyrene
CID 123589132
octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadeca-1(10),2(9),3(8),4(7),5,11(18),12(17),13(16),14-nonaene
CID 101181692
6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
CID 10924795
3,5-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
CID 3559832
1,2-dihydroacenaphthylene-3,6-dicarboxylic acid
CID 21412270
octacyclo[12.11.11.116,20.127,31.015,25.026,36.024,38.035,37]octatriaconta-1(25),14,16,18,20(38),21,23,26(36),27,29,31(37),32,34-tridecaene
CID 59445145
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
3-methyl-1,2-dihydrobenzo[j]aceanthrylen-10-ol
CID 56841770
8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
CID 123187925
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499

Frequently Asked Questions

What is the IUPAC name of tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene?
The IUPAC name of tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene (CID 163701777) is tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene.
What is the SMILES notation for tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene?
The canonical SMILES for tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene is c1cc2c3c4c1c(c24)CC3.
What is the InChIKey of tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene?
The InChIKey is KBQARYKXBHUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6/c1-2-6-8-4-3-7-5(1)9(8)10(6)7/h1-2H,3-4H2.
What are the key properties of tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene?
tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene has a molecular weight of 126.16 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[4.4.0.02,7.03,8]deca-1(6),2(7),3(8),4-tetraene is sourced from PubChem (CID 163701777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).