5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol

C15H24O2 — CID 163113772

IUPAC5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
SMILESCC(C)C1CCC2(C)C3C(CO)=CC(O)C2C13
InChIInChI=1S/C15H24O2/c1-8(2)10-4-5-15(3)13-9(7-16)6-11(17)14(15)12(10)13/h6,8,10-14,16-17H,4-5,7H2,1-3H3
InChIKeyTVJLODKDGZDLNA-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.21
Rot. Bonds2

About 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol

5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol (PubChem CID 163113772) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
PubChem CID163113772
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
SMILESCC(C)C1CCC2(C)C3C(CO)=CC(O)C2C13
InChIInChI=1S/C15H24O2/c1-8(2)10-4-5-15(3)13-9(7-16)6-11(17)14(15)12(10)13/h6,8,10-14,16-17H,4-5,7H2,1-3H3
InChIKeyTVJLODKDGZDLNA-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
CID 162844275
(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 25245021
(2R,6R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 163187113
(1R,2R,4aS,5S,6S,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2,5-triol
CID 11994819
6-(hydroxymethyl)-3-propan-2-ylcyclohex-5-ene-1,2,4-triol
CID 14589119
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
CID 162810997
1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
CID 148847183
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
[(3aR,6aR,7S,9aS,9bR)-2,2,9a-trimethyl-7-propan-2-yl-4,6a,7,8,9,9b-hexahydro-3aH-azuleno[4,5-d][1,3]dioxol-5-yl]methanol
CID 101394433
[(1R,4R,5R,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]methanol
CID 134715067
(1'S,2S,2'R,3'R,6'S,8'S,9'R,10'S)-6'-methyl-3'-propan-2-ylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol
CID 10944915

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol (CID 163113772) is 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol is CC(C)C1CCC2(C)C3C(CO)=CC(O)C2C13.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The InChIKey is TVJLODKDGZDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-8(2)10-4-5-15(3)13-9(7-16)6-11(17)14(15)12(10)13/h6,8,10-14,16-17H,4-5,7H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol has a molecular weight of 236.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol is sourced from PubChem (CID 163113772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).