7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene

C13H22O — CID 123342479

IUPAC7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCC(C)OC1C=C2CCCCC2CC1
InChIInChI=1S/C13H22O/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h9-11,13H,3-8H2,1-2H3
InChIKeyOCSAEVNVDFJTQC-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene

7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene (PubChem CID 123342479) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene.

Molecular Properties

Compound Name7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene
PubChem CID123342479
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCC(C)OC1C=C2CCCCC2CC1
InChIInChI=1S/C13H22O/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h9-11,13H,3-8H2,1-2H3
InChIKeyOCSAEVNVDFJTQC-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-propan-2-yloxycyclobutene
CID 154645304
(4aR,8S)-8-methyl-1,2,3,4,4a,5,7,8-octahydrobenzo[7]annulen-6-one
CID 131107901
5-[(2S,4aR)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl]-1H-imidazole
CID 124677292
3-cyclohexylcyclohex-2-en-1-amine
CID 65171950
3-chloro-1-cyclohexylcyclohexene
CID 65177444
(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene
CID 22749338
(1Z)-1-bromo-3-(1-ethoxyethoxy)cyclododecene
CID 88791483
(1E)-3-methyl-1-propan-2-yloxycyclopentadecene
CID 68821401
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
3-cycloheptylcyclopent-2-en-1-amine
CID 82925386
2-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 101316701

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The IUPAC name of 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene (CID 123342479) is 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene.
What is the SMILES notation for 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The canonical SMILES for 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene is CC(C)OC1C=C2CCCCC2CC1.
What is the InChIKey of 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The InChIKey is OCSAEVNVDFJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene?
7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene is sourced from PubChem (CID 123342479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).