CID 59975572

C16H26O2 — CID 59975572

IUPAC—
SMILES[CH]OC(C)(C#CC(C)(CC(C)C)O[CH])CC(C)C
InChIInChI=1S/C16H26O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h7-8,13-14H,11-12H2,1-6H3
InChIKeyJOTCQHFRBPHHBS-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.97
Rot. Bonds6

About CID 59975572

CID 59975572 (PubChem CID 59975572) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol.

Molecular Properties

Compound NameCID 59975572
PubChem CID59975572
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name—
SMILES[CH]OC(C)(C#CC(C)(CC(C)C)O[CH])CC(C)C
InChIInChI=1S/C16H26O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h7-8,13-14H,11-12H2,1-6H3
InChIKeyJOTCQHFRBPHHBS-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-Diethoxy-2,5,8,11-tetramethyldodec-6-yne
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3-Methoxy-3,5-dimethylhex-1-yne
CID 15215558
4,7-Dimethoxy-2,4,7,9-tetramethyldec-5-yne
CID 18739321
2,4,7,9-Tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
CID 20596750
4,7-Diethoxy-2,4,7,9-tetramethyldec-5-yne
CID 20679703
1-Methoxy-3,5-dimethylhex-1-yn-3-ol
CID 21706436
6-Methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
CID 57254875
CID 57710647
CID 57710647
CID 60003145
CID 60003145
5,8-Dimethoxy-5,8-dimethyldodec-6-yne
CID 89177340
8-Methoxy-2,5,8-trimethyldodec-6-yn-5-ol
CID 140549645
Methane;2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
CID 158246818

Frequently Asked Questions

What is the IUPAC name of CID 59975572?
The IUPAC name of CID 59975572 (CID 59975572) is not available.
What is the SMILES notation for CID 59975572?
The canonical SMILES for CID 59975572 is [CH]OC(C)(C#CC(C)(CC(C)C)O[CH])CC(C)C.
What is the InChIKey of CID 59975572?
The InChIKey is JOTCQHFRBPHHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(2)11-15(5,17-7)9-10-16(6,18-8)12-14(3)4/h7-8,13-14H,11-12H2,1-6H3.
What are the key properties of CID 59975572?
CID 59975572 has a molecular weight of 250.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59975572 is sourced from PubChem (CID 59975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).