1,2,3,4-tetrahydronaphthalene

C130H156 — CID 174531863

IUPAC1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/13C10H12/c13*1-2-6-10-8-4-3-7-9(10)5-1/h13*1-2,5-6H,3-4,7-8H2
InChIKeyYOXPVPCJXPRMIQ-UHFFFAOYSA-N
MW1718.68 g/mol
LogP33.35
Rot. Bonds

About 1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydronaphthalene (PubChem CID 174531863) has the molecular formula C130H156 and a molecular weight of 1718.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene
PubChem CID174531863
Molecular FormulaC130H156
Molecular Weight1718.68 g/mol
Exact Mass1717.22
IUPAC Name1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/13C10H12/c13*1-2-6-10-8-4-3-7-9(10)5-1/h13*1-2,5-6H,3-4,7-8H2
InChIKeyYOXPVPCJXPRMIQ-UHFFFAOYSA-N
XLogP33.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001718.68
LogP ≤ 533.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
2,3-dihydro-1H-indene;methane
CID 158581717
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
CID 144945752
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
1,2,3,4-tetrahydronaphthalene;triazine
CID 22467693

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene (CID 174531863) is 1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene is c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene?
The InChIKey is YOXPVPCJXPRMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/13C10H12/c13*1-2-6-10-8-4-3-7-9(10)5-1/h13*1-2,5-6H,3-4,7-8H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene?
1,2,3,4-tetrahydronaphthalene has a molecular weight of 1718.68 g/mol, XLogP of 33.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 174531863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).