4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol

C13H18O2 — CID 142065636

IUPAC4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
SMILESCC1C2=C(C=CC(C)(C)C=C2)OCC1O
InChIInChI=1S/C13H18O2/c1-9-10-4-6-13(2,3)7-5-12(10)15-8-11(9)14/h4-7,9,11,14H,8H2,1-3H3
InChIKeyKKQFIWXDSJXSAN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.42
Rot. Bonds

About 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol

4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol (PubChem CID 142065636) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol.

Molecular Properties

Compound Name4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
PubChem CID142065636
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
SMILESCC1C2=C(C=CC(C)(C)C=C2)OCC1O
InChIInChI=1S/C13H18O2/c1-9-10-4-6-13(2,3)7-5-12(10)15-8-11(9)14/h4-7,9,11,14H,8H2,1-3H3
InChIKeyKKQFIWXDSJXSAN-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
CID 143542265
2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
7,7-dimethyl-4H-cyclohepta[b]pyran
CID 163798911
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole
CID 71214120
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
[5,5-dimethyl-2-(1-phosphanylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-yl]methanol
CID 143997258
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
6,6-dimethylpyrazolo[1,5-a]azepine
CID 142116655

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol?
The IUPAC name of 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol (CID 142065636) is 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol.
What is the SMILES notation for 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol?
The canonical SMILES for 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol is CC1C2=C(C=CC(C)(C)C=C2)OCC1O.
What is the InChIKey of 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol?
The InChIKey is KKQFIWXDSJXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-10-4-6-13(2,3)7-5-12(10)15-8-11(9)14/h4-7,9,11,14H,8H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol?
4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol has a molecular weight of 206.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol is sourced from PubChem (CID 142065636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).