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

C14H16Hf — CID 175279350

IUPAChafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
SMILESCC1C=Cc2cc3c(cc21)CCCC3.[Hf]
InChIInChI=1S/C14H16.Hf/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13;/h6-10H,2-5H2,1H3;
InChIKeyMETXNJSVULQALM-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.69
Rot. Bonds

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

hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene (PubChem CID 175279350) has the molecular formula C14H16Hf and a molecular weight of 362.77 g/mol. Its IUPAC name is hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Namehafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
PubChem CID175279350
Molecular FormulaC14H16Hf
Molecular Weight362.77 g/mol
Exact Mass364.07
IUPAC Namehafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
SMILESCC1C=Cc2cc3c(cc21)CCCC3.[Hf]
InChIInChI=1S/C14H16.Hf/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13;/h6-10H,2-5H2,1H3;
InChIKeyMETXNJSVULQALM-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The IUPAC name of hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene (CID 175279350) is hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene.
What is the SMILES notation for hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The canonical SMILES for hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene is CC1C=Cc2cc3c(cc21)CCCC3.[Hf].
What is the InChIKey of hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The InChIKey is METXNJSVULQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.Hf/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13;/h6-10H,2-5H2,1H3;.
What are the key properties of hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene has a molecular weight of 362.77 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene is sourced from PubChem (CID 175279350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).