[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol

C24H38O3 — CID 143448387

IUPAC[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)CC[C@@](C)(CC4[C@H](CO)CCC[C@@]4(C)[C@@H]2O1)C3(C)C
InChIInChI=1S/C24H38O3/c1-7-18-26-20-19-15(2)10-12-23(5,22(19,3)4)13-17-16(14-25)9-8-11-24(17,6)21(20)27-18/h7,16-18,20-21,25H,1,8-14H2,2-6H3/t16-,17?,18+,20+,21+,23-,24+/m0/s1
InChIKeyLOFGWTPYNNLWRS-GOSABEJXSA-N
MW374.57 g/mol
LogP5.24
Rot. Bonds2

About [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol

[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol (PubChem CID 143448387) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol
PubChem CID143448387
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)CC[C@@](C)(CC4[C@H](CO)CCC[C@@]4(C)[C@@H]2O1)C3(C)C
InChIInChI=1S/C24H38O3/c1-7-18-26-20-19-15(2)10-12-23(5,22(19,3)4)13-17-16(14-25)9-8-11-24(17,6)21(20)27-18/h7,16-18,20-21,25H,1,8-14H2,2-6H3/t16-,17?,18+,20+,21+,23-,24+/m0/s1
InChIKeyLOFGWTPYNNLWRS-GOSABEJXSA-N
XLogP5.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol?
The IUPAC name of [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol (CID 143448387) is [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol.
What is the SMILES notation for [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol?
The canonical SMILES for [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol is C=C[C@@H]1O[C@@H]2C3=C(C)CC[C@@](C)(CC4[C@H](CO)CCC[C@@]4(C)[C@@H]2O1)C3(C)C.
What is the InChIKey of [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol?
The InChIKey is LOFGWTPYNNLWRS-GOSABEJXSA-N. The full InChI is InChI=1S/C24H38O3/c1-7-18-26-20-19-15(2)10-12-23(5,22(19,3)4)13-17-16(14-25)9-8-11-24(17,6)21(20)27-18/h7,16-18,20-21,25H,1,8-14H2,2-6H3/t16-,17?,18+,20+,21+,23-,24+/m0/s1.
What are the key properties of [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol?
[(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol has a molecular weight of 374.57 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,6S,7R,11R,14S)-4-ethenyl-7,14,17,18,18-pentamethyl-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-11-yl]methanol is sourced from PubChem (CID 143448387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).