methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol

C27H48O — CID 155751174

IUPACmethane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol
SMILESC.C=CC(O)C1CCCC2C3CC[C@]4(C)CC(C)CCCC4(C)C3CCC12C
InChIInChI=1S/C26H44O.CH4/c1-6-23(27)22-11-7-10-20-19-12-15-24(3)17-18(2)9-8-14-26(24,5)21(19)13-16-25(20,22)4;/h6,18-23,27H,1,7-17H2,2-5H3;1H4/t18?,19?,20?,21?,22?,23?,24-,25?,26?;/m1./s1
InChIKeyIDQWFEMRUOBXNA-ITAPJSDTSA-N
MW388.68 g/mol
LogP7.63
Rot. Bonds2

About methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol

methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol (PubChem CID 155751174) has the molecular formula C27H48O and a molecular weight of 388.68 g/mol. Its IUPAC name is methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol.

Molecular Properties

Compound Namemethane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol
PubChem CID155751174
Molecular FormulaC27H48O
Molecular Weight388.68 g/mol
Exact Mass388.37
IUPAC Namemethane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol
SMILESC.C=CC(O)C1CCCC2C3CC[C@]4(C)CC(C)CCCC4(C)C3CCC12C
InChIInChI=1S/C26H44O.CH4/c1-6-23(27)22-11-7-10-20-19-12-15-24(3)17-18(2)9-8-14-26(24,5)21(19)13-16-25(20,22)4;/h6,18-23,27H,1,7-17H2,2-5H3;1H4/t18?,19?,20?,21?,22?,23?,24-,25?,26?;/m1./s1
InChIKeyIDQWFEMRUOBXNA-ITAPJSDTSA-N
XLogP7.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6a,8,10a,12a-tetramethyl-1-prop-1-en-2-yl-2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12-tetradecahydro-1H-chrysene;ethane
CID 155752383
3,5,10,13-tetramethyl-17-(2-methylbut-3-en-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 162753512
ethane;3,5,10,13-tetramethyl-17-(2-methylbut-3-en-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 162753511
methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol
CID 155751479
1-(3,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone
CID 142612928
3-[(6aR)-4-ethyl-3,6a,8,11a-tetramethyl-1,2,4,4a,5,6,7,8,9,10,11,11b-dodecahydrocyclohepta[a]naphthalen-3-yl]butan-2-one
CID 155751320
5,10,13,17-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 143398911
1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
CID 155751474
(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
(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-(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
(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

Frequently Asked Questions

What is the IUPAC name of methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol?
The IUPAC name of 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) is methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol.
What is the SMILES notation for methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol?
The canonical SMILES for methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol is C.C=CC(O)C1CCCC2C3CC[C@]4(C)CC(C)CCCC4(C)C3CCC12C.
What is the InChIKey of methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol?
The InChIKey is IDQWFEMRUOBXNA-ITAPJSDTSA-N. The full InChI is InChI=1S/C26H44O.CH4/c1-6-23(27)22-11-7-10-20-19-12-15-24(3)17-18(2)9-8-14-26(24,5)21(19)13-16-25(20,22)4;/h6,18-23,27H,1,7-17H2,2-5H3;1H4/t18?,19?,20?,21?,22?,23?,24-,25?,26?;/m1./s1.
What are the key properties of methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol?
methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol has a molecular weight of 388.68 g/mol, XLogP of 7.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[(8R)-2,6,8,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-en-1-ol is sourced from PubChem (CID 155751174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).