[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate

C24H36O4 — CID 14336525

IUPAC[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate
SMILESC=C1CC/C=C(\C)C[C@H](OC(C)=O)/C(C(C)C)=C\C=C(/C)CC[C@H]1OC(C)=O
InChIInChI=1S/C24H36O4/c1-16(2)22-13-11-17(3)12-14-23(27-20(6)25)19(5)10-8-9-18(4)15-24(22)28-21(7)26/h9,11,13,16,23-24H,5,8,10,12,14-15H2,1-4,6-7H3/b17-11+,18-9+,22-13-/t23-,24+/m1/s1
InChIKeyYNZHDHOLDNJBTI-BFXQDGBSSA-N
MW388.55 g/mol
LogP5.85
Rot. Bonds3

About [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate

[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate (PubChem CID 14336525) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate
PubChem CID14336525
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate
SMILESC=C1CC/C=C(\C)C[C@H](OC(C)=O)/C(C(C)C)=C\C=C(/C)CC[C@H]1OC(C)=O
InChIInChI=1S/C24H36O4/c1-16(2)22-13-11-17(3)12-14-23(27-20(6)25)19(5)10-8-9-18(4)15-24(22)28-21(7)26/h9,11,13,16,23-24H,5,8,10,12,14-15H2,1-4,6-7H3/b17-11+,18-9+,22-13-/t23-,24+/m1/s1
InChIKeyYNZHDHOLDNJBTI-BFXQDGBSSA-N
XLogP5.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methoprene
CID 5366546
S-Methoprene
CID 1711973
Phytyl acetate
CID 637195
Phytol, acetate
CID 6428538
3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
CID 53425386
[(3E)-3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl] acetate
CID 10491749
[(2Z,6S,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundec-9-enyl] acetate
CID 16681370
[(2E,6Z,11S,12R)-7-(acetyloxymethyl)-12-hydroxy-3,11,15-trimethylhexadeca-2,6,14-trienyl] acetate
CID 16681371
[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
CID 112093
Lutein diacetate
CID 11215944
Gibberosene F
CID 44448180
Gibberosene E
CID 44448195

Frequently Asked Questions

What is the IUPAC name of [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate?
The IUPAC name of [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate (CID 14336525) is [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate.
What is the SMILES notation for [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate?
The canonical SMILES for [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate is C=C1CC/C=C(\C)C[C@H](OC(C)=O)/C(C(C)C)=C\C=C(/C)CC[C@H]1OC(C)=O.
What is the InChIKey of [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate?
The InChIKey is YNZHDHOLDNJBTI-BFXQDGBSSA-N. The full InChI is InChI=1S/C24H36O4/c1-16(2)22-13-11-17(3)12-14-23(27-20(6)25)19(5)10-8-9-18(4)15-24(22)28-21(7)26/h9,11,13,16,23-24H,5,8,10,12,14-15H2,1-4,6-7H3/b17-11+,18-9+,22-13-/t23-,24+/m1/s1.
What are the key properties of [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate?
[(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate has a molecular weight of 388.55 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4E,6Z,8S,10E)-8-acetyloxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-yl] acetate is sourced from PubChem (CID 14336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).