(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene

C16H26 — CID 46187193

IUPAC(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
SMILESC=C1[C@@H](C)[C@]2(C)C(C)=C(C)[C@@](C)(C2C)[C@H]1C
InChIInChI=1S/C16H26/c1-9-10(2)15(7)12(4)13(5)16(8,11(9)3)14(15)6/h10-11,14H,1H2,2-8H3/t10-,11+,14?,15-,16+
InChIKeyGXPHTJFKVOCWKQ-PDLCYRHZSA-N
MW218.38 g/mol
LogP4.83
Rot. Bonds

About (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene

(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene (PubChem CID 46187193) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
PubChem CID46187193
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
SMILESC=C1[C@@H](C)[C@]2(C)C(C)=C(C)[C@@](C)(C2C)[C@H]1C
InChIInChI=1S/C16H26/c1-9-10(2)15(7)12(4)13(5)16(8,11(9)3)14(15)6/h10-11,14H,1H2,2-8H3/t10-,11+,14?,15-,16+
InChIKeyGXPHTJFKVOCWKQ-PDLCYRHZSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The IUPAC name of (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene (CID 46187193) is (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The canonical SMILES for (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene is C=C1[C@@H](C)[C@]2(C)C(C)=C(C)[C@@](C)(C2C)[C@H]1C.
What is the InChIKey of (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The InChIKey is GXPHTJFKVOCWKQ-PDLCYRHZSA-N. The full InChI is InChI=1S/C16H26/c1-9-10(2)15(7)12(4)13(5)16(8,11(9)3)14(15)6/h10-11,14H,1H2,2-8H3/t10-,11+,14?,15-,16+.
What are the key properties of (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene has a molecular weight of 218.38 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 46187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).