(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene

C23H28O4 — CID 11025012

IUPAC(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene
SMILESC=CC1CC=CC2C1C[C@@]1(OCc3ccccc3)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C23H28O4/c1-4-16-11-8-12-17-18(16)13-23(24-14-15-9-6-5-7-10-15)19(17)25-21-20(23)26-22(2,3)27-21/h4-10,12,16-21H,1,11,13-14H2,2-3H3/t16?,17?,18?,19-,20+,21-,23-/m1/s1
InChIKeyQNMQRMRUARRDDS-YFFPVADCSA-N
MW368.47 g/mol
LogP4.22
Rot. Bonds4

About (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene

(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene (PubChem CID 11025012) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene.

Molecular Properties

Compound Name(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene
PubChem CID11025012
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene
SMILESC=CC1CC=CC2C1C[C@@]1(OCc3ccccc3)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C23H28O4/c1-4-16-11-8-12-17-18(16)13-23(24-14-15-9-6-5-7-10-15)19(17)25-21-20(23)26-22(2,3)27-21/h4-10,12,16-21H,1,11,13-14H2,2-3H3/t16?,17?,18?,19-,20+,21-,23-/m1/s1
InChIKeyQNMQRMRUARRDDS-YFFPVADCSA-N
XLogP4.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene with MolForge

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Related Compounds

(1S,3R,5R,7R,8Z,11S,12R,16R)-5-ethenyl-14,14-dimethyl-11-phenylmethoxy-13,15,17-trioxatetracyclo[9.6.0.03,7.012,16]heptadec-8-en-2-one
CID 25259331
(3aR,4aR,5R,8aR,8bR)-2,2-dimethyl-8a-phenylmethoxy-4a,5,6,8b-tetrahydro-3aH-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol
CID 102281391
(3aR,5R,6S,6aR)-5-ethenyl-2,2-dimethyl-6-(2-methylprop-2-enyl)-6-phenylmethoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 101139758
(1R,2S,6R,8R,9R,10R)-4,4-dimethyl-1,9-bis(phenylmethoxy)-10-(phenylmethoxymethyl)-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
CID 11060496
(3aR,5R,6R,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6-ethenyl-2,2-dimethyl-6-phenylmethoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 11191557
(1R,2R,6R,8R,11R)-1,4,4-trimethyl-11-phenylmethoxy-3,5,7,13-tetraoxatricyclo[6.5.0.02,6]tridec-9-ene
CID 15545581
2,2-dimethyl-5-phenylmethoxy-4a,5,6,7,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-b][1]benzofuran-7,8a-diol
CID 123148707
(3aR,5S,6R,6aR)-2,2,5-trimethyl-6-phenylmethoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboxylic acid
CID 11702272
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(1,3-dioxolan-2-ylmethyl)-2,2-dimethyl-6-phenylmethoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 101027808
5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 123802653
6-ethenyl-2,2-dimethyl-5-(1-phenylmethoxybut-3-enyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 123301187
(3aR,5R,6R,6aR)-2,2-dimethyl-5-(phenylmethoxymethyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,5'-oxolane]-2'-one
CID 101001366

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene?
The IUPAC name of (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene (CID 11025012) is (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene.
What is the SMILES notation for (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene?
The canonical SMILES for (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene is C=CC1CC=CC2C1C[C@@]1(OCc3ccccc3)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene?
The InChIKey is QNMQRMRUARRDDS-YFFPVADCSA-N. The full InChI is InChI=1S/C23H28O4/c1-4-16-11-8-12-17-18(16)13-23(24-14-15-9-6-5-7-10-15)19(17)25-21-20(23)26-22(2,3)27-21/h4-10,12,16-21H,1,11,13-14H2,2-3H3/t16?,17?,18?,19-,20+,21-,23-/m1/s1.
What are the key properties of (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene?
(1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene has a molecular weight of 368.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R,14R)-6-ethenyl-12,12-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadec-3-ene is sourced from PubChem (CID 11025012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).