8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene

C13H20 — CID 101316624

IUPAC8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC(C)C1=CCCC2=C1CCCC2
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h9-10H,3-8H2,1-2H3
InChIKeyYVUNKUCPUYDQAR-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.23
Rot. Bonds1

About 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene

8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 101316624) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID101316624
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC(C)C1=CCCC2=C1CCCC2
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h9-10H,3-8H2,1-2H3
InChIKeyYVUNKUCPUYDQAR-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-propan-2-yl-1,2,5,8-tetrahydronaphthalene
CID 101316499
[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane
CID 140616862
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
CID 146366991
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
CID 146622902
(5-propan-2-yl-7,8-dihydronaphthalen-2-yl)methanol
CID 70827641
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962
2-methyl-4-propan-2-yl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzofuran
CID 144613081
4-propan-2-yl-2,9-dihydro-1H-carbazole
CID 166885158
1,2,3,4,5,6,9,10-octahydrophenanthrene
CID 148687611
2-(1-aminoethyl)cyclohex-2-ene-1-thione
CID 123458209

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene (CID 101316624) is 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene is CC(C)C1=CCCC2=C1CCCC2.
What is the InChIKey of 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is YVUNKUCPUYDQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene has a molecular weight of 176.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 101316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).