3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium

C20H20Hf — CID 175279082

IUPAC3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
SMILESC1=CC(Cc2ccccc2)c2cc3c(cc21)CCCC3.[Hf]
InChIInChI=1S/C20H20.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12H2;
InChIKeyWVODMDQHENCQQF-UHFFFAOYSA-N
MW438.87 g/mol
LogP4.92
Rot. Bonds2

About 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium

3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium (PubChem CID 175279082) has the molecular formula C20H20Hf and a molecular weight of 438.87 g/mol. Its IUPAC name is 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium.

Molecular Properties

Compound Name3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
PubChem CID175279082
Molecular FormulaC20H20Hf
Molecular Weight438.87 g/mol
Exact Mass440.10
IUPAC Name3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
SMILESC1=CC(Cc2ccccc2)c2cc3c(cc21)CCCC3.[Hf]
InChIInChI=1S/C20H20.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12H2;
InChIKeyWVODMDQHENCQQF-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
CID 175279096
5-benzyl-2,2-dimethyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279126
1-benzyl-5,6-dimethyl-1H-indene
CID 156638082
hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 175279350
3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 58581350
1-[(4-ethenylphenyl)methyl]-1H-indene
CID 170649356
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279322
2-[(3-benzyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1-yl)methyl]piperidine
CID 123987454
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
2,2-diethyl-5-pentyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279183
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium?
The IUPAC name of 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium (CID 175279082) is 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium.
What is the SMILES notation for 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium?
The canonical SMILES for 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium is C1=CC(Cc2ccccc2)c2cc3c(cc21)CCCC3.[Hf].
What is the InChIKey of 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium?
The InChIKey is WVODMDQHENCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12H2;.
What are the key properties of 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium?
3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium has a molecular weight of 438.87 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium is sourced from PubChem (CID 175279082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).