1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene

C13H20 — CID 10773625

IUPAC1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESC=CCC1CCCC2=C1CCCC2
InChIInChI=1S/C13H20/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2,11H,1,3-10H2
InChIKeyUIHHPOPJWZMLSN-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.23
Rot. Bonds2

About 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene

1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 10773625) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID10773625
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESC=CCC1CCCC2=C1CCCC2
InChIInChI=1S/C13H20/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2,11H,1,3-10H2
InChIKeyUIHHPOPJWZMLSN-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

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CID 148843377
(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
CID 102075109
2-prop-2-enylcyclohexane-1-thione
CID 173030397
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-methylidene-3-prop-2-enylcyclohexan-1-one
CID 130030327
(2-cyclopentylidenecyclopentyl) prop-2-enoate
CID 139893986
1-[2-(1,2,3,4,5,6,7,8,9,10-decahydroanthracen-1-yl)ethyl]-1,2,3,4,5,6,7,8,9,10-decahydroanthracene
CID 141066691
3-hydrazinyl-5-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
CID 130303316
1,1-bis(prop-2-enoxy)cyclohexane;2-prop-2-enylcyclohexan-1-one
CID 165014812
3-tert-butyl-7-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole
CID 67361044
CID 101002342
CID 101002342
(5S)-5-prop-2-enylcycloheptane-1,4-dione
CID 16724096

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 10773625) is 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene is C=CCC1CCCC2=C1CCCC2.
What is the InChIKey of 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is UIHHPOPJWZMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2,11H,1,3-10H2.
What are the key properties of 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 176.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 10773625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).