decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol

C24H50O4 — CID 159531057

IUPACdecane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
SMILESCCCCCCCCCC.CO.CO.OCC1CC2C3CC(CO)C(C3)C2C1
InChIInChI=1S/C12H20O2.C10H22.2CH4O/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7;1-3-5-7-9-10-8-6-4-2;2*1-2/h7-14H,1-6H2;3-10H2,1-2H3;2*2H,1H3
InChIKeyMCZQZHAWERQSPA-UHFFFAOYSA-N
MW402.66 g/mol
LogP4.63
Rot. Bonds9

About decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol

decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol (PubChem CID 159531057) has the molecular formula C24H50O4 and a molecular weight of 402.66 g/mol. Its IUPAC name is decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol.

Molecular Properties

Compound Namedecane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
PubChem CID159531057
Molecular FormulaC24H50O4
Molecular Weight402.66 g/mol
Exact Mass402.37
IUPAC Namedecane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol
SMILESCCCCCCCCCC.CO.CO.OCC1CC2C3CC(CO)C(C3)C2C1
InChIInChI=1S/C12H20O2.C10H22.2CH4O/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7;1-3-5-7-9-10-8-6-4-2;2*1-2/h7-14H,1-6H2;3-10H2,1-2H3;2*2H,1H3
InChIKeyMCZQZHAWERQSPA-UHFFFAOYSA-N
XLogP4.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.66
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
[4-(nitrosomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 118501069
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]cyclopropyl]cyclopropyl]methanol
CID 10631296
methanol;undecane
CID 161373911
[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol
CID 139967945
4-ethyltricyclo[5.2.1.02,6]decan-8-amine
CID 155442148
1-O-[7-(2,3-dihexyl-6-octylcyclohexyl)heptyl] 4-O-[[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] (E)-but-2-enedioate
CID 88986132
ethanol;bis(heptane);bis(hexane)
CID 173110983
methanediol;nonane
CID 159588378

Frequently Asked Questions

What is the IUPAC name of decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol?
The IUPAC name of decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol (CID 159531057) is decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol.
What is the SMILES notation for decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol?
The canonical SMILES for decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol is CCCCCCCCCC.CO.CO.OCC1CC2C3CC(CO)C(C3)C2C1.
What is the InChIKey of decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol?
The InChIKey is MCZQZHAWERQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C10H22.2CH4O/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7;1-3-5-7-9-10-8-6-4-2;2*1-2/h7-14H,1-6H2;3-10H2,1-2H3;2*2H,1H3.
What are the key properties of decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol?
decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol has a molecular weight of 402.66 g/mol, XLogP of 4.63, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane;[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol;methanol is sourced from PubChem (CID 159531057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).