(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one

C24H40O4 — CID 91188692

IUPAC(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one
SMILESCCC=C[C@]1(C)C[C@@H](O)[C@@]2(C)C3C(=O)CCC3(CC[C@H]2C)[C@@H](C)[C@@H]1OCOC
InChIInChI=1S/C24H40O4/c1-7-8-11-22(4)14-19(26)23(5)16(2)9-12-24(13-10-18(25)20(23)24)17(3)21(22)28-15-27-6/h8,11,16-17,19-21,26H,7,9-10,12-15H2,1-6H3/t16-,17+,19-,20?,21+,22-,23+,24?/m1/s1
InChIKeyUSZKTDQXDQRZTI-UGTSRKROSA-N
MW392.58 g/mol
LogP4.75
Rot. Bonds5

About (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one

(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one (PubChem CID 91188692) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one.

Molecular Properties

Compound Name(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one
PubChem CID91188692
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one
SMILESCCC=C[C@]1(C)C[C@@H](O)[C@@]2(C)C3C(=O)CCC3(CC[C@H]2C)[C@@H](C)[C@@H]1OCOC
InChIInChI=1S/C24H40O4/c1-7-8-11-22(4)14-19(26)23(5)16(2)9-12-24(13-10-18(25)20(23)24)17(3)21(22)28-15-27-6/h8,11,16-17,19-21,26H,7,9-10,12-15H2,1-6H3/t16-,17+,19-,20?,21+,22-,23+,24?/m1/s1
InChIKeyUSZKTDQXDQRZTI-UGTSRKROSA-N
XLogP4.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one?
The IUPAC name of (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one (CID 91188692) is (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one.
What is the SMILES notation for (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one?
The canonical SMILES for (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one is CCC=C[C@]1(C)C[C@@H](O)[C@@]2(C)C3C(=O)CCC3(CC[C@H]2C)[C@@H](C)[C@@H]1OCOC.
What is the InChIKey of (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one?
The InChIKey is USZKTDQXDQRZTI-UGTSRKROSA-N. The full InChI is InChI=1S/C24H40O4/c1-7-8-11-22(4)14-19(26)23(5)16(2)9-12-24(13-10-18(25)20(23)24)17(3)21(22)28-15-27-6/h8,11,16-17,19-21,26H,7,9-10,12-15H2,1-6H3/t16-,17+,19-,20?,21+,22-,23+,24?/m1/s1.
What are the key properties of (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one?
(2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one has a molecular weight of 392.58 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R,7R,14R)-4-but-1-enyl-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one is sourced from PubChem (CID 91188692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).