methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol

C27H50O2 — CID 155751479

IUPACmethane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol
SMILESC.COCC1CCC2(C)CCC3C4CCCC(C(C)O)C4(C)CCC3C2(C)CC1
InChIInChI=1S/C26H46O2.CH4/c1-18(27)21-7-6-8-22-20-11-14-24(2)13-9-19(17-28-5)10-16-26(24,4)23(20)12-15-25(21,22)3;/h18-23,27H,6-17H2,1-5H3;1H4
InChIKeyOZZWBLORLWBJKD-UHFFFAOYSA-N
MW406.70 g/mol
LogP7.10
Rot. Bonds3

About methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol

methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol (PubChem CID 155751479) has the molecular formula C27H50O2 and a molecular weight of 406.70 g/mol. Its IUPAC name is methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol.

Molecular Properties

Compound Namemethane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol
PubChem CID155751479
Molecular FormulaC27H50O2
Molecular Weight406.70 g/mol
Exact Mass406.38
IUPAC Namemethane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol
SMILESC.COCC1CCC2(C)CCC3C4CCCC(C(C)O)C4(C)CCC3C2(C)CC1
InChIInChI=1S/C26H46O2.CH4/c1-18(27)21-7-6-8-22-20-11-14-24(2)13-9-19(17-28-5)10-16-26(24,4)23(20)12-15-25(21,22)3;/h18-23,27H,6-17H2,1-5H3;1H4
InChIKeyOZZWBLORLWBJKD-UHFFFAOYSA-N
XLogP7.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8,12a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl)ethanol
CID 163383696
(1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 11890571
1-(6-ethyl-17-methyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol
CID 155751356
1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
CID 155751474
methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol
CID 155751174
(4R)-4-[(5S,10R,13R)-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CID 143398918
(1R)-1-[(10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;methane
CID 158276027
(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxyethyl)-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 70060312
(4R)-4-[(3R,8S,9S,10R,13R,14S,17R)-3-hydroxy-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CID 90817460
(8S,9S,10S,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-1-carboxylic acid
CID 70635078
(10R)-17-(1-hydroxyethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-ol
CID 145142660
5,10,13,17-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 143398911

Frequently Asked Questions

What is the IUPAC name of methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol?
The IUPAC name of methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol (CID 155751479) is methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol.
What is the SMILES notation for methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol?
The canonical SMILES for methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol is C.COCC1CCC2(C)CCC3C4CCCC(C(C)O)C4(C)CCC3C2(C)CC1.
What is the InChIKey of methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol?
The InChIKey is OZZWBLORLWBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2.CH4/c1-18(27)21-7-6-8-22-20-11-14-24(2)13-9-19(17-28-5)10-16-26(24,4)23(20)12-15-25(21,22)3;/h18-23,27H,6-17H2,1-5H3;1H4.
What are the key properties of methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol?
methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol has a molecular weight of 406.70 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol is sourced from PubChem (CID 155751479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).