ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane

C30H56O — CID 145258423

IUPACethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(C)=C(/C)C(=C)OC.CC.CC.CCC
InChIInChI=1S/C23H36O.C3H8.2C2H6/c1-11-16(2)12-13-17(3)18(4)14-15-19(5)20(6)21(7)22(8)23(9)24-10;1-3-2;2*1-2/h14-17H,4-6,9,11-13H2,1-3,7-8,10H3;3H2,1-2H3;2*1-2H3/b15-14-,22-21-;;;
InChIKeyQAVPBZFULCMVFL-KNLQLUKOSA-N
MW432.78 g/mol
LogP10.64
Rot. Bonds11

About ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane

ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane (PubChem CID 145258423) has the molecular formula C30H56O and a molecular weight of 432.78 g/mol. Its IUPAC name is ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane.

Molecular Properties

Compound Nameethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
PubChem CID145258423
Molecular FormulaC30H56O
Molecular Weight432.78 g/mol
Exact Mass432.43
IUPAC Nameethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(C)=C(/C)C(=C)OC.CC.CC.CCC
InChIInChI=1S/C23H36O.C3H8.2C2H6/c1-11-16(2)12-13-17(3)18(4)14-15-19(5)20(6)21(7)22(8)23(9)24-10;1-3-2;2*1-2/h14-17H,4-6,9,11-13H2,1-3,7-8,10H3;3H2,1-2H3;2*1-2H3/b15-14-,22-21-;;;
InChIKeyQAVPBZFULCMVFL-KNLQLUKOSA-N
XLogP10.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane with MolForge

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

Launch Full Analysis

Related Compounds

Retinyl methyl ether
CID 6436634
(2E,7R,11R)-1-Methoxy-3,7,11,15-tetramethyl-2-hexadecene
CID 6476636
2-(9-Methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 92284
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
2-(Fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
CID 91288012
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
(3Z)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
CID 137398084
1-[(3Z,4E,8Z)-10-(difluoromethoxy)-3-ethylidene-5-fluoro-6,7-dimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898719
1-[(4Z,8Z)-10-(difluoromethoxy)-3,6,7-trimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898720
2-[(Z,6Z)-6-ethylidene-9-methoxy-4-methyl-3-methylidenenon-7-en-2-yl]-6-fluoro-5-[(2Z,4E)-hepta-2,4-dien-4-yl]cyclohexa-1,3-diene
CID 143527532
5-(4-Ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 143612329
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
CID 143772369

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The IUPAC name of ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane (CID 145258423) is ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane.
What is the SMILES notation for ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The canonical SMILES for ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane is C=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(C)=C(/C)C(=C)OC.CC.CC.CCC.
What is the InChIKey of ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
The InChIKey is QAVPBZFULCMVFL-KNLQLUKOSA-N. The full InChI is InChI=1S/C23H36O.C3H8.2C2H6/c1-11-16(2)12-13-17(3)18(4)14-15-19(5)20(6)21(7)22(8)23(9)24-10;1-3-2;2*1-2/h14-17H,4-6,9,11-13H2,1-3,7-8,10H3;3H2,1-2H3;2*1-2H3/b15-14-,22-21-;;;.
What are the key properties of ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane?
ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane has a molecular weight of 432.78 g/mol, XLogP of 10.64, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,7Z)-2-methoxy-3,4,10,13-tetramethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane is sourced from PubChem (CID 145258423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).