ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene

C30H52O2 — CID 145122179

IUPACethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)CC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C.C=CC.C=O.CC
InChIInChI=1S/C24H38O.C3H6.C2H6.CH2O/c1-11-18(4)24(16-25-10)15-22(8)23(9)21(7)14-20(6)19(5)13-12-17(2)3;1-3-2;2*1-2/h14-15,17,19H,4,6,8-9,11-13,16H2,1-3,5,7,10H3;3H,1H2,2H3;1-2H3;1H2/b21-14-,24-15-;;;
InChIKeyFPDVRXDZBVSQCD-RWQVTAGXSA-N
MW444.74 g/mol
LogP9.25
Rot. Bonds12

About ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene

ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene (PubChem CID 145122179) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene.

Molecular Properties

Compound Nameethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
PubChem CID145122179
Molecular FormulaC30H52O2
Molecular Weight444.74 g/mol
Exact Mass444.40
IUPAC Nameethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)CC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C.C=CC.C=O.CC
InChIInChI=1S/C24H38O.C3H6.C2H6.CH2O/c1-11-18(4)24(16-25-10)15-22(8)23(9)21(7)14-20(6)19(5)13-12-17(2)3;1-3-2;2*1-2/h14-15,17,19H,4,6,8-9,11-13,16H2,1-3,5,7,10H3;3H,1H2,2H3;1-2H3;1H2/b21-14-,24-15-;;;
InChIKeyFPDVRXDZBVSQCD-RWQVTAGXSA-N
XLogP9.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The IUPAC name of ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene (CID 145122179) is ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene.
What is the SMILES notation for ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The canonical SMILES for ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene is C=C(/C=C(/COC)C(=C)CC)C(=C)/C(C)=C\C(=C)C(C)CCC(C)C.C=CC.C=O.CC.
What is the InChIKey of ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
The InChIKey is FPDVRXDZBVSQCD-RWQVTAGXSA-N. The full InChI is InChI=1S/C24H38O.C3H6.C2H6.CH2O/c1-11-18(4)24(16-25-10)15-22(8)23(9)21(7)14-20(6)19(5)13-12-17(2)3;1-3-2;2*1-2/h14-15,17,19H,4,6,8-9,11-13,16H2,1-3,5,7,10H3;3H,1H2,2H3;1-2H3;1H2/b21-14-,24-15-;;;.
What are the key properties of ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene?
ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene has a molecular weight of 444.74 g/mol, XLogP of 9.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;(4E,8Z)-4-(methoxymethyl)-8,11,14-trimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;prop-1-ene is sourced from PubChem (CID 145122179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).