2,3-dihydronaphthalene;methane

C12H18 — CID 142417654

IUPAC2,3-dihydronaphthalene;methane
SMILESC.C.C1=c2ccccc2=CCC1
InChIInChI=1S/C10H10.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-2,5-8H,3-4H2;2*1H4
InChIKeyLZCHKNFFURCJPI-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.31
Rot. Bonds

About 2,3-dihydronaphthalene;methane

2,3-dihydronaphthalene;methane (PubChem CID 142417654) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3-dihydronaphthalene;methane.

Molecular Properties

Compound Name2,3-dihydronaphthalene;methane
PubChem CID142417654
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3-dihydronaphthalene;methane
SMILESC.C.C1=c2ccccc2=CCC1
InChIInChI=1S/C10H10.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-2,5-8H,3-4H2;2*1H4
InChIKeyLZCHKNFFURCJPI-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydronaphthalene;methane?
The IUPAC name of 2,3-dihydronaphthalene;methane (CID 142417654) is 2,3-dihydronaphthalene;methane.
What is the SMILES notation for 2,3-dihydronaphthalene;methane?
The canonical SMILES for 2,3-dihydronaphthalene;methane is C.C.C1=c2ccccc2=CCC1.
What is the InChIKey of 2,3-dihydronaphthalene;methane?
The InChIKey is LZCHKNFFURCJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.2CH4/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-2,5-8H,3-4H2;2*1H4.
What are the key properties of 2,3-dihydronaphthalene;methane?
2,3-dihydronaphthalene;methane has a molecular weight of 162.28 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphthalene;methane is sourced from PubChem (CID 142417654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).