4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol

C14H26O2 — CID 114865258

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1=COCCC1
InChIInChI=1S/C14H26O2/c1-11(2)8-14(15,9-12(3)4)13-6-5-7-16-10-13/h10-12,15H,5-9H2,1-4H3
InChIKeyJGURNSSTVLGTOB-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.50
Rot. Bonds5

About 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol

4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol (PubChem CID 114865258) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
PubChem CID114865258
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1=COCCC1
InChIInChI=1S/C14H26O2/c1-11(2)8-14(15,9-12(3)4)13-6-5-7-16-10-13/h10-12,15H,5-9H2,1-4H3
InChIKeyJGURNSSTVLGTOB-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-1-(2-methylcyclopropyl)propan-1-ol
CID 131093339
1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105033473
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
CID 84717977
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 116709884
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566550
5-methylsulfonyl-3,4-dihydro-2H-pyran
CID 132579852
4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol
CID 114865344
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 164659731
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 114743757
2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
CID 114865584

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol (CID 114865258) is 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)C1=COCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol?
The InChIKey is JGURNSSTVLGTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)8-14(15,9-12(3)4)13-6-5-7-16-10-13/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol?
4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol has a molecular weight of 226.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).