(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol

C19H30O — CID 155276840

IUPAC(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
SMILESC=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3
InChIInChI=1S/C19H30O/c1-13-5-4-8-17(3)15(13)6-9-18-11-14(2)19(20,12-18)10-7-16(17)18/h13,15-16,20H,2,4-12H2,1,3H3/t13-,15+,16-,17+,18+,19+/m0/s1
InChIKeyFYEVVLBDOVHJFR-RJBYQVBTSA-N
MW274.45 g/mol
LogP4.70
Rot. Bonds

About (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol

(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol (PubChem CID 155276840) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol.

Molecular Properties

Compound Name(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
PubChem CID155276840
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
SMILESC=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3
InChIInChI=1S/C19H30O/c1-13-5-4-8-17(3)15(13)6-9-18-11-14(2)19(20,12-18)10-7-16(17)18/h13,15-16,20H,2,4-12H2,1,3H3/t13-,15+,16-,17+,18+,19+/m0/s1
InChIKeyFYEVVLBDOVHJFR-RJBYQVBTSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S,5R,9S,10S,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 162948047
(4S,5R,9S,10R,13R)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 146489671
3a,6,9a-trimethyl-2-methylidene-1,3,4,5,5a,6,7,8,9,9b-decahydrocyclopenta[a]naphthalene;ethane
CID 144608363
[(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (E)-4,4,4-trifluorobut-2-enoate
CID 51357242
(5S,9R,10R,13S)-5,9,10-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 163717124
methane;bis((1R,9R,13R)-5,5,9,13-tetramethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane)
CID 158642735
(1S,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 118357138
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
CID 142805256
(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 129031404
(2S,3R,4R,5R,6S)-2-[(3R,4S,6S)-4-[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(1R,4R,9R,10R)-5,9-dimethyl-14-methylidene-13-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 134180332
N-[[(1S,5R,9S,13S)-13-hydroxy-5,9-dimethyl-14-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl]prop-2-ynamide
CID 176691830

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The IUPAC name of (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol (CID 155276840) is (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol.
What is the SMILES notation for (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The canonical SMILES for (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol is C=C1C[C@@]23CC[C@@H]4[C@@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3.
What is the InChIKey of (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
The InChIKey is FYEVVLBDOVHJFR-RJBYQVBTSA-N. The full InChI is InChI=1S/C19H30O/c1-13-5-4-8-17(3)15(13)6-9-18-11-14(2)19(20,12-18)10-7-16(17)18/h13,15-16,20H,2,4-12H2,1,3H3/t13-,15+,16-,17+,18+,19+/m0/s1.
What are the key properties of (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol?
(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol has a molecular weight of 274.45 g/mol, XLogP of 4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol is sourced from PubChem (CID 155276840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).