(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene

C20H30O — CID 144754217

IUPAC(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)OC(=C)/C=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C20H30O/c1-15(2)9-11-17(5)18(6)12-14-20(8)21-19(7)13-10-16(3)4/h10,12-15,17H,3,6-9,11H2,1-2,4-5H3/b13-10-,14-12-
InChIKeyKTNPAMKEPOEZHA-TWCRNUMNSA-N
MW286.46 g/mol
LogP6.35
Rot. Bonds10

About (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene

(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene (PubChem CID 144754217) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
PubChem CID144754217
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)OC(=C)/C=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C20H30O/c1-15(2)9-11-17(5)18(6)12-14-20(8)21-19(7)13-10-16(3)4/h10,12-15,17H,3,6-9,11H2,1-2,4-5H3/b13-10-,14-12-
InChIKeyKTNPAMKEPOEZHA-TWCRNUMNSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.35
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene?
The IUPAC name of (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene (CID 144754217) is (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene.
What is the SMILES notation for (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene?
The canonical SMILES for (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene is C=C(C)/C=C\C(=C)OC(=C)/C=C\C(=C)C(C)CCC(C)C.
What is the InChIKey of (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene?
The InChIKey is KTNPAMKEPOEZHA-TWCRNUMNSA-N. The full InChI is InChI=1S/C20H30O/c1-15(2)9-11-17(5)18(6)12-14-20(8)21-19(7)13-10-16(3)4/h10,12-15,17H,3,6-9,11H2,1-2,4-5H3/b13-10-,14-12-.
What are the key properties of (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene?
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene has a molecular weight of 286.46 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene is sourced from PubChem (CID 144754217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).