2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene

C26H38O — CID 22384357

IUPAC2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCOC1CCC2CC(C3CCc4cc(CCC)ccc4C3)CCC2C1
InChIInChI=1S/C26H38O/c1-3-5-19-6-7-21-16-22(9-8-20(21)15-19)23-10-11-25-18-26(27-14-4-2)13-12-24(25)17-23/h4,6-7,15,22-26H,2-3,5,8-14,16-18H2,1H3
InChIKeyLAYFBTHOTXPEPZ-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.53
Rot. Bonds6

About 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene

2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 22384357) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID22384357
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCOC1CCC2CC(C3CCc4cc(CCC)ccc4C3)CCC2C1
InChIInChI=1S/C26H38O/c1-3-5-19-6-7-21-16-22(9-8-20(21)15-19)23-10-11-25-18-26(27-14-4-2)13-12-24(25)17-23/h4,6-7,15,22-26H,2-3,5,8-14,16-18H2,1H3
InChIKeyLAYFBTHOTXPEPZ-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene (CID 22384357) is 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene is C=CCOC1CCC2CC(C3CCc4cc(CCC)ccc4C3)CCC2C1.
What is the InChIKey of 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LAYFBTHOTXPEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-3-5-19-6-7-21-16-22(9-8-20(21)15-19)23-10-11-25-18-26(27-14-4-2)13-12-24(25)17-23/h4,6-7,15,22-26H,2-3,5,8-14,16-18H2,1H3.
What are the key properties of 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene?
2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 366.59 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22384357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).