(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one

C16H26O2 — CID 162875557

IUPAC(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@]1(C)CCC(=O)O1
InChIInChI=1S/C16H26O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h13H,1,5-11H2,2-4H3/t13-,16+/m0/s1
InChIKeyNTWHYVHXGGLYAK-XJKSGUPXSA-N
MW250.38 g/mol
LogP4.24
Rot. Bonds3

About (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one

(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one (PubChem CID 162875557) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one
PubChem CID162875557
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@]1(C)CCC(=O)O1
InChIInChI=1S/C16H26O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h13H,1,5-11H2,2-4H3/t13-,16+/m0/s1
InChIKeyNTWHYVHXGGLYAK-XJKSGUPXSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one with MolForge

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Related Compounds

Negombatolactone
CID 46939593
8-tert-Butyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 327686
Epianastrephin
CID 10856363
Anastrephin
CID 10976370
(3aR,4R,7aR)-4-ethenyl-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 10878037
4-ethenyl-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 538062
(4R,7aS)-4-ethenyl-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 13030458
3-(2-Neopentylallyl)tetrahydrofuran-2,5-dione
CID 2775293
6-Tert-butyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 333514
Ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
CID 10058967
Methyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
CID 121015104
(3aR,4S,7aR)-4-ethenyl-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 10899515

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one?
The IUPAC name of (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one (CID 162875557) is (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one?
The canonical SMILES for (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one is C=C1CCCC(C)(C)[C@H]1CC[C@]1(C)CCC(=O)O1.
What is the InChIKey of (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one?
The InChIKey is NTWHYVHXGGLYAK-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-6-5-9-15(2,3)13(12)7-10-16(4)11-8-14(17)18-16/h13H,1,5-11H2,2-4H3/t13-,16+/m0/s1.
What are the key properties of (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one?
(5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-5-methyloxolan-2-one is sourced from PubChem (CID 162875557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).