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

C14H16 — CID 58581350

IUPAC3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
SMILESCC1C=Cc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H16/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13/h6-10H,2-5H2,1H3
InChIKeyYDPFUXXNOATVOR-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.70
Rot. Bonds

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

3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene (PubChem CID 58581350) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
PubChem CID58581350
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
SMILESCC1C=Cc2cc3c(cc21)CCCC3
InChIInChI=1S/C14H16/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(10)13/h6-10H,2-5H2,1H3
InChIKeyYDPFUXXNOATVOR-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene (CID 58581350) is 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene is CC1C=Cc2cc3c(cc21)CCCC3.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
The InChIKey is YDPFUXXNOATVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/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 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene?
3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene has a molecular weight of 184.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene is sourced from PubChem (CID 58581350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).