8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene

C13H20 — CID 101316645

IUPAC8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
SMILESCC(C)C12C=CCCC1=CCCC2
InChIInChI=1S/C13H20/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3
InChIKeyROWJRICHVRQUDQ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds1

About 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene

8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene (PubChem CID 101316645) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
PubChem CID101316645
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
SMILESCC(C)C12C=CCCC1=CCCC2
InChIInChI=1S/C13H20/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3
InChIKeyROWJRICHVRQUDQ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
CID 159109168
1-(cyclohepten-1-yl)cyclohex-2-en-1-ol
CID 106651589
(4aR)-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-one
CID 102096032
1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
CID 172575297
(2S)-2-[(1R,7aR)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]propan-1-ol
CID 11850746
4a-methyl-7,8-dihydronaphthalen-2-one
CID 20713787
2-(cyclopenten-1-yl)-2-(3-methylbutyl)cyclopentan-1-one
CID 18548281
1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
CID 71358238
1-propan-2-ylsulfanylcyclobutene
CID 174588641
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
CID 176715947
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 11194541

Frequently Asked Questions

What is the IUPAC name of 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene?
The IUPAC name of 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene (CID 101316645) is 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene.
What is the SMILES notation for 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene?
The canonical SMILES for 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene is CC(C)C12C=CCCC1=CCCC2.
What is the InChIKey of 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene?
The InChIKey is ROWJRICHVRQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3.
What are the key properties of 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene?
8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene is sourced from PubChem (CID 101316645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).