4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene

C11H16 — CID 565023

IUPAC4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
SMILESCC12C=CCCC1CC=CC2
InChIInChI=1S/C11H16/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4-5,9-10H,3,6-8H2,1H3
InChIKeyNLRFUYAHCNZJLW-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds

About 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene

4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene (PubChem CID 565023) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
PubChem CID565023
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene
SMILESCC12C=CCCC1CC=CC2
InChIInChI=1S/C11H16/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4-5,9-10H,3,6-8H2,1H3
InChIKeyNLRFUYAHCNZJLW-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene?
The IUPAC name of 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene (CID 565023) is 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene.
What is the SMILES notation for 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene?
The canonical SMILES for 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene is CC12C=CCCC1CC=CC2.
What is the InChIKey of 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene?
The InChIKey is NLRFUYAHCNZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4-5,9-10H,3,6-8H2,1H3.
What are the key properties of 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene?
4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-2,5,8,8a-tetrahydro-1H-naphthalene is sourced from PubChem (CID 565023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).