(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

C15H28O2 — CID 139467916

IUPAC(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCC(C)C1OC(C)C2CC[C@@H](C)CC2O1
InChIInChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3/t10-,11?,12?,13?,14?,15?/m1/s1
InChIKeyMLOBFISHAXMWTR-IBEXFIOLSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds3

About (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 139467916) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID139467916
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCCC(C)C1OC(C)C2CC[C@@H](C)CC2O1
InChIInChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3/t10-,11?,12?,13?,14?,15?/m1/s1
InChIKeyMLOBFISHAXMWTR-IBEXFIOLSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine with MolForge

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Related Compounds

4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139468011
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 145410429
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1,1,5-trimethyl-3-pentan-2-ylcycloheptane
CID 90776790
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
CID 144517272
3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
CID 123860685

Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 139467916) is (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CCCC(C)C1OC(C)C2CC[C@@H](C)CC2O1.
What is the InChIKey of (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is MLOBFISHAXMWTR-IBEXFIOLSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-11(3)15-16-12(4)13-8-7-10(2)9-14(13)17-15/h10-15H,5-9H2,1-4H3/t10-,11?,12?,13?,14?,15?/m1/s1.
What are the key properties of (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 240.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 139467916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).