(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate

C17H26O2 — CID 72733755

IUPAC(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate
SMILESC=C1C=CC(C(C)C)CCC(=C)C(OC(C)=O)CC1
InChIInChI=1S/C17H26O2/c1-12(2)16-9-6-13(3)7-11-17(19-15(5)18)14(4)8-10-16/h6,9,12,16-17H,3-4,7-8,10-11H2,1-2,5H3
InChIKeyGRUXLFLHYPEQRV-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.43
Rot. Bonds2

About (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate

(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate (PubChem CID 72733755) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate.

Molecular Properties

Compound Name(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate
PubChem CID72733755
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate
SMILESC=C1C=CC(C(C)C)CCC(=C)C(OC(C)=O)CC1
InChIInChI=1S/C17H26O2/c1-12(2)16-9-6-13(3)7-11-17(19-15(5)18)14(4)8-10-16/h6,9,12,16-17H,3-4,7-8,10-11H2,1-2,5H3
InChIKeyGRUXLFLHYPEQRV-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 98177931
(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
CID 163075641
(1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
CID 6436582
(4S)-7-methylidene-4-propan-2-ylcyclodec-5-en-1-ol
CID 57074679
(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
CID 177497570
[(4E,8E,10E)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-4,8,10-trien-1-yl] acetate
CID 23252104
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
[(1R,5R)-5-tert-butyl-2-methylidenecyclohexyl] acetate
CID 12027034
(4S)-4-[(1S)-4-methylidenecyclohex-2-en-1-yl]pentanal
CID 15408871

Frequently Asked Questions

What is the IUPAC name of (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate?
The IUPAC name of (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate (CID 72733755) is (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate.
What is the SMILES notation for (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate?
The canonical SMILES for (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate is C=C1C=CC(C(C)C)CCC(=C)C(OC(C)=O)CC1.
What is the InChIKey of (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate?
The InChIKey is GRUXLFLHYPEQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)16-9-6-13(3)7-11-17(19-15(5)18)14(4)8-10-16/h6,9,12,16-17H,3-4,7-8,10-11H2,1-2,5H3.
What are the key properties of (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate?
(4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate has a molecular weight of 262.39 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-yl) acetate is sourced from PubChem (CID 72733755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).