[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol

C16H24O2 — CID 20676849

IUPAC[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol
SMILESC=C(C)C(=C)OC1CC2CC1C1CC(CO)CC21
InChIInChI=1S/C16H24O2/c1-9(2)10(3)18-16-7-12-6-15(16)14-5-11(8-17)4-13(12)14/h11-17H,1,3-8H2,2H3
InChIKeyCYFCBCIXLHTRNY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.14
Rot. Bonds4

About [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol

[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol (PubChem CID 20676849) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol.

Molecular Properties

Compound Name[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol
PubChem CID20676849
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol
SMILESC=C(C)C(=C)OC1CC2CC1C1CC(CO)CC21
InChIInChI=1S/C16H24O2/c1-9(2)10(3)18-16-7-12-6-15(16)14-5-11(8-17)4-13(12)14/h11-17H,1,3-8H2,2H3
InChIKeyCYFCBCIXLHTRNY-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 170200761
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
CID 20676852
decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
CID 159531057
(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 160519304
1-butoxyethyl 8-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 139888972
4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
CID 156753274
3-O-[[4-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl] 1-O-[[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 88988181
ditert-butyl 5-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 89116229
(4-oxo-3-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 59460117
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776

Frequently Asked Questions

What is the IUPAC name of [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The IUPAC name of [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol (CID 20676849) is [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol.
What is the SMILES notation for [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The canonical SMILES for [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol is C=C(C)C(=C)OC1CC2CC1C1CC(CO)CC21.
What is the InChIKey of [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
The InChIKey is CYFCBCIXLHTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-9(2)10(3)18-16-7-12-6-15(16)14-5-11(8-17)4-13(12)14/h11-17H,1,3-8H2,2H3.
What are the key properties of [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol?
[8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methylbuta-1,3-dien-2-yloxy)-4-tricyclo[5.2.1.02,6]decanyl]methanol is sourced from PubChem (CID 20676849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).