(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol

C20H32O — CID 163717124

IUPAC(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
SMILESC=C1CC23CCC4[C@@H](C)CCC[C@@]4(C)[C@]2(C)CC[C@]1(O)C3
InChIInChI=1S/C20H32O/c1-14-6-5-8-17(3)16(14)7-9-19-12-15(2)20(21,13-19)11-10-18(17,19)4/h14,16,21H,2,5-13H2,1,3-4H3/t14-,16?,17+,18-,19?,20-/m0/s1
InChIKeyKOIKFZOTIOKCKC-RFSUHOQXSA-N
MW288.48 g/mol
LogP5.09
Rot. Bonds

About (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol

(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol (PubChem CID 163717124) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol.

Molecular Properties

Compound Name(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
PubChem CID163717124
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
SMILESC=C1CC23CCC4[C@@H](C)CCC[C@@]4(C)[C@]2(C)CC[C@]1(O)C3
InChIInChI=1S/C20H32O/c1-14-6-5-8-17(3)16(14)7-9-19-12-15(2)20(21,13-19)11-10-18(17,19)4/h14,16,21H,2,5-13H2,1,3-4H3/t14-,16?,17+,18-,19?,20-/m0/s1
InChIKeyKOIKFZOTIOKCKC-RFSUHOQXSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol with MolForge

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Related Compounds

(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 155276840
3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane
CID 144608363
[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
CID 142805256
2-(5,8a-dimethyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl)acetaldehyde
CID 144751896
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
CID 165443124
(5R,13R)-5,13-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
CID 145443522
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
CID 91746522
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006

Frequently Asked Questions

What is the IUPAC name of (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The IUPAC name of (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol (CID 163717124) is (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol.
What is the SMILES notation for (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The canonical SMILES for (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol is C=C1CC23CCC4[C@@H](C)CCC[C@@]4(C)[C@]2(C)CC[C@]1(O)C3.
What is the InChIKey of (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The InChIKey is KOIKFZOTIOKCKC-RFSUHOQXSA-N. The full InChI is InChI=1S/C20H32O/c1-14-6-5-8-17(3)16(14)7-9-19-12-15(2)20(21,13-19)11-10-18(17,19)4/h14,16,21H,2,5-13H2,1,3-4H3/t14-,16?,17+,18-,19?,20-/m0/s1.
What are the key properties of (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol has a molecular weight of 288.48 g/mol, XLogP of 5.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol is sourced from PubChem (CID 163717124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).