(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol

C16H28O — CID 58289219

IUPAC(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol
SMILESC=C(/C=C\C(O)=C\C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C16H28O/c1-8-15(4,5)12-14(17)11-10-13(3)16(6,7)9-2/h10-12,17H,3,8-9H2,1-2,4-7H3/b11-10-,14-12-
InChIKeyLNGIIKIQLWKFIL-QDUUWUCGSA-N
MW236.40 g/mol
LogP5.41
Rot. Bonds6

About (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol

(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol (PubChem CID 58289219) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol.

Molecular Properties

Compound Name(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol
PubChem CID58289219
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol
SMILESC=C(/C=C\C(O)=C\C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C16H28O/c1-8-15(4,5)12-14(17)11-10-13(3)16(6,7)9-2/h10-12,17H,3,8-9H2,1-2,4-7H3/b11-10-,14-12-
InChIKeyLNGIIKIQLWKFIL-QDUUWUCGSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
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 (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol?
The IUPAC name of (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol (CID 58289219) is (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol.
What is the SMILES notation for (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol?
The canonical SMILES for (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol is C=C(/C=C\C(O)=C\C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol?
The InChIKey is LNGIIKIQLWKFIL-QDUUWUCGSA-N. The full InChI is InChI=1S/C16H28O/c1-8-15(4,5)12-14(17)11-10-13(3)16(6,7)9-2/h10-12,17H,3,8-9H2,1-2,4-7H3/b11-10-,14-12-.
What are the key properties of (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol?
(4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol has a molecular weight of 236.40 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3,3,9,9-tetramethyl-8-methylideneundeca-4,6-dien-5-ol is sourced from PubChem (CID 58289219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).