16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene

C17H26O — CID 14816261

IUPAC16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
SMILESCOc1c2cccc1CCCCCCCCCC2
InChIInChI=1S/C17H26O/c1-18-17-15-11-8-6-4-2-3-5-7-9-12-16(17)14-10-13-15/h10,13-14H,2-9,11-12H2,1H3
InChIKeyZPKXAGHENVFZPT-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.91
Rot. Bonds1

About 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene

16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene (PubChem CID 14816261) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene.

Molecular Properties

Compound Name16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
PubChem CID14816261
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
SMILESCOc1c2cccc1CCCCCCCCCC2
InChIInChI=1S/C17H26O/c1-18-17-15-11-8-6-4-2-3-5-7-9-12-16(17)14-10-13-15/h10,13-14H,2-9,11-12H2,1H3
InChIKeyZPKXAGHENVFZPT-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene with MolForge

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Related Compounds

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1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 15322530
18-methoxy-3,11-dithiatricyclo[11.2.2.15,9]octadeca-1(16),5(18),6,8,13(17),14-hexaene
CID 11289650
1,2,3,4-tetrahydronaphthalene
CID 174531863
24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione
CID 10340351
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
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23,24-dimethoxy-6,21-dinitrotricyclo[17.3.1.14,8]tetracosa-1(22),4,6,8(24),19(23),20-hexaene
CID 100928620
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
CID 132501157
(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane
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Frequently Asked Questions

What is the IUPAC name of 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene?
The IUPAC name of 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene (CID 14816261) is 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene.
What is the SMILES notation for 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene?
The canonical SMILES for 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene is COc1c2cccc1CCCCCCCCCC2.
What is the InChIKey of 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene?
The InChIKey is ZPKXAGHENVFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-18-17-15-11-8-6-4-2-3-5-7-9-12-16(17)14-10-13-15/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene?
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene has a molecular weight of 246.39 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene is sourced from PubChem (CID 14816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).