(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol

C14H20O — CID 10488432

IUPAC(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
SMILESC/C1=C\CC(C)(C)/C=C/C(O)C#CCC1
InChIInChI=1S/C14H20O/c1-12-6-4-5-7-13(15)9-11-14(2,3)10-8-12/h8-9,11,13,15H,4,6,10H2,1-3H3/b11-9+,12-8+
InChIKeyYTSBTNXMHLTLSC-FYDMFQIUSA-N
MW204.31 g/mol
LogP3.06
Rot. Bonds

About (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol

(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol (PubChem CID 10488432) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol.

Molecular Properties

Compound Name(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
PubChem CID10488432
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
SMILESC/C1=C\CC(C)(C)/C=C/C(O)C#CCC1
InChIInChI=1S/C14H20O/c1-12-6-4-5-7-13(15)9-11-14(2,3)10-8-12/h8-9,11,13,15H,4,6,10H2,1-3H3/b11-9+,12-8+
InChIKeyYTSBTNXMHLTLSC-FYDMFQIUSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol with MolForge

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Related Compounds

(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
CID 177497934
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol
CID 177466092
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
CID 160681268
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 85161429
(2E,6E)-10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 10499849
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
(3E,7E,11E)-5,5,8,12-tetramethyl-1-azacyclododeca-3,7,11-trien-2-one
CID 102526052
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 52941926
1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol
CID 135017310

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The IUPAC name of (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol (CID 10488432) is (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol.
What is the SMILES notation for (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The canonical SMILES for (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol is C/C1=C\CC(C)(C)/C=C/C(O)C#CCC1.
What is the InChIKey of (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The InChIKey is YTSBTNXMHLTLSC-FYDMFQIUSA-N. The full InChI is InChI=1S/C14H20O/c1-12-6-4-5-7-13(15)9-11-14(2,3)10-8-12/h8-9,11,13,15H,4,6,10H2,1-3H3/b11-9+,12-8+.
What are the key properties of (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
(2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol is sourced from PubChem (CID 10488432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).