(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene

C22H32O — CID 89409768

IUPAC(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(=C)OC(=C)/C=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C22H32O/c1-16(2)10-12-18(5)19(6)14-15-21(8)23-22(9)20(7)13-11-17(3)4/h11,13-16,18H,3,6-10,12H2,1-2,4-5H3/b13-11-,15-14-
InChIKeyRLMPQSQTVGSYKJ-WABAVOORSA-N
MW312.50 g/mol
LogP6.90
Rot. Bonds11

About (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene

(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene (PubChem CID 89409768) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene
PubChem CID89409768
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(=C)OC(=C)/C=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C22H32O/c1-16(2)10-12-18(5)19(6)14-15-21(8)23-22(9)20(7)13-11-17(3)4/h11,13-16,18H,3,6-10,12H2,1-2,4-5H3/b13-11-,15-14-
InChIKeyRLMPQSQTVGSYKJ-WABAVOORSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.90
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-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene?
The IUPAC name of (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene (CID 89409768) is (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene.
What is the SMILES notation for (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene?
The canonical SMILES for (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene is C=C(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-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene?
The InChIKey is RLMPQSQTVGSYKJ-WABAVOORSA-N. The full InChI is InChI=1S/C22H32O/c1-16(2)10-12-18(5)19(6)14-15-21(8)23-22(9)20(7)13-11-17(3)4/h11,13-16,18H,3,6-10,12H2,1-2,4-5H3/b13-11-,15-14-.
What are the key properties of (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene?
(3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene has a molecular weight of 312.50 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,9-dimethyl-5-methylidene-2-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]oxydeca-1,3-diene is sourced from PubChem (CID 89409768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).