(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol

C15H26O2 — CID 177497934

IUPAC(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
SMILESC/C1=C\CC(C)(C)/C=C\C[C@](C)(O)[C@H](O)CC1
InChIInChI=1S/C15H26O2/c1-12-6-7-13(16)15(4,17)10-5-9-14(2,3)11-8-12/h5,8-9,13,16-17H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15+/m1/s1
InChIKeyUVZIXGPVWYZAAF-BRLWBIKESA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds

About (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol

(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol (PubChem CID 177497934) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol.

Molecular Properties

Compound Name(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
PubChem CID177497934
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
SMILESC/C1=C\CC(C)(C)/C=C\C[C@](C)(O)[C@H](O)CC1
InChIInChI=1S/C15H26O2/c1-12-6-7-13(16)15(4,17)10-5-9-14(2,3)11-8-12/h5,8-9,13,16-17H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15+/m1/s1
InChIKeyUVZIXGPVWYZAAF-BRLWBIKESA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol with MolForge

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Related Compounds

(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
5,5,8-trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carbaldehyde
CID 162992711
(3aS,6R,10R,11S,15aR)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 162976911
(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 72945528
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
(2E,6E)-10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 10499849
10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 85161429
(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
CID 10488432
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
CID 160681268
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 52941926
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
1,5-dimethylcyclohepta-2,5-dien-1-ol
CID 143034749

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol?
The IUPAC name of (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol (CID 177497934) is (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol.
What is the SMILES notation for (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol?
The canonical SMILES for (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol is C/C1=C\CC(C)(C)/C=C\C[C@](C)(O)[C@H](O)CC1.
What is the InChIKey of (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol?
The InChIKey is UVZIXGPVWYZAAF-BRLWBIKESA-N. The full InChI is InChI=1S/C15H26O2/c1-12-6-7-13(16)15(4,17)10-5-9-14(2,3)11-8-12/h5,8-9,13,16-17H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15+/m1/s1.
What are the key properties of (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol?
(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol is sourced from PubChem (CID 177497934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).