(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

C20H32O2 — CID 155126102

IUPAC(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC/C=C/[C@]1(C)O[C@H]2C[C@@]34C[C@H](C(C)(C)[C@@H]3CC[C@H]4C)[C@@]2(C)O1
InChIInChI=1S/C20H32O2/c1-7-10-18(5)21-16-12-20-11-15(19(16,6)22-18)17(3,4)14(20)9-8-13(20)2/h7,10,13-16H,8-9,11-12H2,1-6H3/b10-7+/t13-,14+,15-,16+,18-,19-,20-/m1/s1
InChIKeyBELAANNSEZRXFR-LDGQGMFRSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (PubChem CID 155126102) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.

Molecular Properties

Compound Name(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
PubChem CID155126102
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESC/C=C/[C@]1(C)O[C@H]2C[C@@]34C[C@H](C(C)(C)[C@@H]3CC[C@H]4C)[C@@]2(C)O1
InChIInChI=1S/C20H32O2/c1-7-10-18(5)21-16-12-20-11-15(19(16,6)22-18)17(3,4)14(20)9-8-13(20)2/h7,10,13-16H,8-9,11-12H2,1-6H3/b10-7+/t13-,14+,15-,16+,18-,19-,20-/m1/s1
InChIKeyBELAANNSEZRXFR-LDGQGMFRSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane 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 (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The IUPAC name of (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (CID 155126102) is (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.
What is the SMILES notation for (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The canonical SMILES for (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is C/C=C/[C@]1(C)O[C@H]2C[C@@]34C[C@H](C(C)(C)[C@@H]3CC[C@H]4C)[C@@]2(C)O1.
What is the InChIKey of (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The InChIKey is BELAANNSEZRXFR-LDGQGMFRSA-N. The full InChI is InChI=1S/C20H32O2/c1-7-10-18(5)21-16-12-20-11-15(19(16,6)22-18)17(3,4)14(20)9-8-13(20)2/h7,10,13-16H,8-9,11-12H2,1-6H3/b10-7+/t13-,14+,15-,16+,18-,19-,20-/m1/s1.
What are the key properties of (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is sourced from PubChem (CID 155126102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).